[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate

C19H34O2 — CID 132575314

IUPAC[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate
SMILESCC(CC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1
InChIInChI=1S/C19H34O2/c1-14(16-7-6-10-18(2,3)12-16)11-19(4,5)13-21-17(20)15-8-9-15/h14-16H,6-13H2,1-5H3
InChIKeyBGINDEZAWBGRQK-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.21
Rot. Bonds6

About [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate

[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate (PubChem CID 132575314) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate
PubChem CID132575314
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate
SMILESCC(CC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1
InChIInChI=1S/C19H34O2/c1-14(16-7-6-10-18(2,3)12-16)11-19(4,5)13-21-17(20)15-8-9-15/h14-16H,6-13H2,1-5H3
InChIKeyBGINDEZAWBGRQK-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate?
The IUPAC name of [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate (CID 132575314) is [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate?
The canonical SMILES for [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate is CC(CC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1.
What is the InChIKey of [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate?
The InChIKey is BGINDEZAWBGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-14(16-7-6-10-18(2,3)12-16)11-19(4,5)13-21-17(20)15-8-9-15/h14-16H,6-13H2,1-5H3.
What are the key properties of [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate?
[4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate has a molecular weight of 294.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylcyclohexyl)-2,2-dimethylpentyl] cyclopropanecarboxylate is sourced from PubChem (CID 132575314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).