methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate

C17H24O2 — CID 11086513

IUPACmethyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1(C)CCCc2ccc(C)cc21
InChIInChI=1S/C17H24O2/c1-12-8-9-13-7-6-10-17(4,14(13)11-12)16(2,3)15(18)19-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyDAWDRQKOJWDAFC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.79
Rot. Bonds2

About methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate

methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate (PubChem CID 11086513) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
PubChem CID11086513
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namemethyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1(C)CCCc2ccc(C)cc21
InChIInChI=1S/C17H24O2/c1-12-8-9-13-7-6-10-17(4,14(13)11-12)16(2,3)15(18)19-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyDAWDRQKOJWDAFC-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate (CID 11086513) is methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate is COC(=O)C(C)(C)C1(C)CCCc2ccc(C)cc21.
What is the InChIKey of methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate?
The InChIKey is DAWDRQKOJWDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-8-9-13-7-6-10-17(4,14(13)11-12)16(2,3)15(18)19-5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate?
methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate has a molecular weight of 260.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate is sourced from PubChem (CID 11086513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).