(1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate

C18H32O2 — CID 91477685

IUPAC(1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate
SMILESCC(C)CC1(C(=O)OC2(C)CCCCCC2)CC1(C)C
InChIInChI=1S/C18H32O2/c1-14(2)12-18(13-16(18,3)4)15(19)20-17(5)10-8-6-7-9-11-17/h14H,6-13H2,1-5H3
InChIKeyZSTIUHOQWNEAHN-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.10
Rot. Bonds4

About (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate

(1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate (PubChem CID 91477685) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate
PubChem CID91477685
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate
SMILESCC(C)CC1(C(=O)OC2(C)CCCCCC2)CC1(C)C
InChIInChI=1S/C18H32O2/c1-14(2)12-18(13-16(18,3)4)15(19)20-17(5)10-8-6-7-9-11-17/h14H,6-13H2,1-5H3
InChIKeyZSTIUHOQWNEAHN-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclodecyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate
CID 70997805
bis(1-methylcyclohexyl) oxalate
CID 154101354
(1-methylcyclopentyl) 2-methylpropyl carbonate
CID 54223354
methyl (1-methylcycloheptyl) carbonate
CID 172553116
(1-methylcyclohexyl) acetate;propane
CID 143035856
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
(1-methylcyclopentyl) 2,2,4-trimethylpentanoate
CID 148692117
1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
CID 18731139
3-methylbutan-2-yl (1-methylcyclohexyl) carbonate
CID 58096721
(1-methylcyclohexyl) 3-methyl-7,8-dioxatricyclo[4.1.1.01,6]octane-3-carboxylate
CID 174442779
(1-methylcyclohexyl) 2,3,3-trimethylpentanoate
CID 123317170
[3-(1-methylcyclohexyl)oxy-3-oxopropyl] 2-methylpropanoate
CID 147929814

Frequently Asked Questions

What is the IUPAC name of (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate?
The IUPAC name of (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate (CID 91477685) is (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate?
The canonical SMILES for (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate is CC(C)CC1(C(=O)OC2(C)CCCCCC2)CC1(C)C.
What is the InChIKey of (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate?
The InChIKey is ZSTIUHOQWNEAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-14(2)12-18(13-16(18,3)4)15(19)20-17(5)10-8-6-7-9-11-17/h14H,6-13H2,1-5H3.
What are the key properties of (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate?
(1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate has a molecular weight of 280.45 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcycloheptyl) 2,2-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 91477685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).