dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate

C94H143Cl2O10+ — CID 160591671

IUPACdichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate
SMILESCC.CC.CC.CC.CC.CC.CCC(=O)Oc1ccc2c(c1)C(C)=CCC2(C)C.COc1ccc2c(c1)C(=O)CCC2(C)C.COc1ccc2c(c1)C(C)(O)CCC2(C)C.COc1ccc2c(c1)C(C)=CCC2(C)C.COc1ccc2c(c1)CCCC2(C)C.COc1ccc2c(c1)CCCC2=O.ClCCl.[H+]
InChIInChI=1S/C16H20O2.C14H20O2.C14H18O.C13H16O2.C13H18O.C11H12O2.6C2H6.CH2Cl2/c1-5-15(17)18-12-6-7-14-13(10-12)11(2)8-9-16(14,3)4;1-13(2)7-8-14(3,15)12-9-10(16-4)5-6-11(12)13;1-10-7-8-14(2,3)13-6-5-11(15-4)9-12(10)13;1-13(2)7-6-12(14)10-8-9(15-3)4-5-11(10)13;1-13(2)8-4-5-10-9-11(14-3)6-7-12(10)13;1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;6*1-2;2-1-3/h6-8,10H,5,9H2,1-4H3;5-6,9,15H,7-8H2,1-4H3;5-7,9H,8H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,2-4H2,1H3;6*1-2H3;1H2/p+1
InChIKeyRDCJMMQCAKQGCM-UHFFFAOYSA-O
MW1504.07 g/mol
LogP27.00
Rot. Bonds7

About dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate

dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate (PubChem CID 160591671) has the molecular formula C94H143Cl2O10+ and a molecular weight of 1504.07 g/mol. Its IUPAC name is dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate.

Molecular Properties

Compound Namedichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate
PubChem CID160591671
Molecular FormulaC94H143Cl2O10+
Molecular Weight1504.07 g/mol
Exact Mass1502.01
IUPAC Namedichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate
SMILESCC.CC.CC.CC.CC.CC.CCC(=O)Oc1ccc2c(c1)C(C)=CCC2(C)C.COc1ccc2c(c1)C(=O)CCC2(C)C.COc1ccc2c(c1)C(C)(O)CCC2(C)C.COc1ccc2c(c1)C(C)=CCC2(C)C.COc1ccc2c(c1)CCCC2(C)C.COc1ccc2c(c1)CCCC2=O.ClCCl.[H+]
InChIInChI=1S/C16H20O2.C14H20O2.C14H18O.C13H16O2.C13H18O.C11H12O2.6C2H6.CH2Cl2/c1-5-15(17)18-12-6-7-14-13(10-12)11(2)8-9-16(14,3)4;1-13(2)7-8-14(3,15)12-9-10(16-4)5-6-11(12)13;1-10-7-8-14(2,3)13-6-5-11(15-4)9-12(10)13;1-13(2)7-6-12(14)10-8-9(15-3)4-5-11(10)13;1-13(2)8-4-5-10-9-11(14-3)6-7-12(10)13;1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;6*1-2;2-1-3/h6-8,10H,5,9H2,1-4H3;5-6,9,15H,7-8H2,1-4H3;5-7,9H,8H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,2-4H2,1H3;6*1-2H3;1H2/p+1
InChIKeyRDCJMMQCAKQGCM-UHFFFAOYSA-O
XLogP27.00
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001504.07
LogP ≤ 527.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate?
The IUPAC name of dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate (CID 160591671) is dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate.
What is the SMILES notation for dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate?
The canonical SMILES for dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate is CC.CC.CC.CC.CC.CC.CCC(=O)Oc1ccc2c(c1)C(C)=CCC2(C)C.COc1ccc2c(c1)C(=O)CCC2(C)C.COc1ccc2c(c1)C(C)(O)CCC2(C)C.COc1ccc2c(c1)C(C)=CCC2(C)C.COc1ccc2c(c1)CCCC2(C)C.COc1ccc2c(c1)CCCC2=O.ClCCl.[H+].
What is the InChIKey of dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate?
The InChIKey is RDCJMMQCAKQGCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20O2.C14H20O2.C14H18O.C13H16O2.C13H18O.C11H12O2.6C2H6.CH2Cl2/c1-5-15(17)18-12-6-7-14-13(10-12)11(2)8-9-16(14,3)4;1-13(2)7-8-14(3,15)12-9-10(16-4)5-6-11(12)13;1-10-7-8-14(2,3)13-6-5-11(15-4)9-12(10)13;1-13(2)7-6-12(14)10-8-9(15-3)4-5-11(10)13;1-13(2)8-4-5-10-9-11(14-3)6-7-12(10)13;1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;6*1-2;2-1-3/h6-8,10H,5,9H2,1-4H3;5-6,9,15H,7-8H2,1-4H3;5-7,9H,8H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,2-4H2,1H3;6*1-2H3;1H2/p+1.
What are the key properties of dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate?
dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate has a molecular weight of 1504.07 g/mol, XLogP of 27.00, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate is sourced from PubChem (CID 160591671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).