2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane

C19H27ClO — CID 116525931

IUPAC2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane
SMILESCC1(C)CCC(C)(C)c2cc(C(Cl)C3CCCO3)ccc21
InChIInChI=1S/C19H27ClO/c1-18(2)9-10-19(3,4)15-12-13(7-8-14(15)18)17(20)16-6-5-11-21-16/h7-8,12,16-17H,5-6,9-11H2,1-4H3
InChIKeyHNNAGGCVRPDMAF-UHFFFAOYSA-N
MW306.88 g/mol
LogP5.49
Rot. Bonds2

About 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane

2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane (PubChem CID 116525931) has the molecular formula C19H27ClO and a molecular weight of 306.88 g/mol. Its IUPAC name is 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane.

Molecular Properties

Compound Name2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane
PubChem CID116525931
Molecular FormulaC19H27ClO
Molecular Weight306.88 g/mol
Exact Mass306.18
IUPAC Name2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane
SMILESCC1(C)CCC(C)(C)c2cc(C(Cl)C3CCCO3)ccc21
InChIInChI=1S/C19H27ClO/c1-18(2)9-10-19(3,4)15-12-13(7-8-14(15)18)17(20)16-6-5-11-21-16/h7-8,12,16-17H,5-6,9-11H2,1-4H3
InChIKeyHNNAGGCVRPDMAF-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.88
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(3,4-dichlorophenyl)methyl]oxolane
CID 61086456
6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 97175249
6-(1-chloroethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 71633194
2-[chloro-(3,4-diethoxyphenyl)methyl]oxolane
CID 61083960
2-[(4-bromophenyl)-chloromethyl]oxolane
CID 61081536
2-[chloro(phenyl)methyl]oxolane
CID 11084790
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]oxolane
CID 63431574
2-[chloro-(4-methoxy-3-methylphenyl)methyl]oxane
CID 62215181
2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
CID 61082899
3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan
CID 116525941
(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
CID 107001422
6-[chloro(oxan-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 62214454

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane?
The IUPAC name of 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane (CID 116525931) is 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane.
What is the SMILES notation for 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane?
The canonical SMILES for 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane is CC1(C)CCC(C)(C)c2cc(C(Cl)C3CCCO3)ccc21.
What is the InChIKey of 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane?
The InChIKey is HNNAGGCVRPDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClO/c1-18(2)9-10-19(3,4)15-12-13(7-8-14(15)18)17(20)16-6-5-11-21-16/h7-8,12,16-17H,5-6,9-11H2,1-4H3.
What are the key properties of 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane?
2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane has a molecular weight of 306.88 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane is sourced from PubChem (CID 116525931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).