methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate

C14H26O2 — CID 144518048

IUPACmethyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCCC(C)(C)C1
InChIInChI=1S/C14H26O2/c1-13(2)9-7-6-8-11(10-13)14(3,4)12(15)16-5/h11H,6-10H2,1-5H3
InChIKeyLARWLWDNICFDHN-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.79
Rot. Bonds2

About methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate

methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate (PubChem CID 144518048) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate
PubChem CID144518048
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namemethyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCCC(C)(C)C1
InChIInChI=1S/C14H26O2/c1-13(2)9-7-6-8-11(10-13)14(3,4)12(15)16-5/h11H,6-10H2,1-5H3
InChIKeyLARWLWDNICFDHN-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
CID 80706394
methyl 2-[(4,4-dimethylcycloheptyl)amino]-2-methylpropanoate
CID 65084105
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121
methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate
CID 11492116
[2-[3-(3,3-dimethylcycloheptyl)pentan-3-yloxy]-2-oxoethyl] 3,3-dimethylbutanoate
CID 91009340
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl 2-methyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)propanoate
CID 10489349
N-[2-(3,3-dimethylcyclohexyl)-2-hydroxypropyl]-2-spiro[4.5]decan-8-ylacetamide
CID 166327460
methyl 2-cyclopropyl-2-hydroxypropanoate
CID 62212878
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)propanoate
CID 65282048
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
CID 115128640

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate (CID 144518048) is methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate is COC(=O)C(C)(C)C1CCCCC(C)(C)C1.
What is the InChIKey of methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate?
The InChIKey is LARWLWDNICFDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2)9-7-6-8-11(10-13)14(3,4)12(15)16-5/h11H,6-10H2,1-5H3.
What are the key properties of methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate?
methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate has a molecular weight of 226.36 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-(3,3-dimethylcycloheptyl)-2-methylpropanoate is sourced from PubChem (CID 144518048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).