1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate

C14H26O2 — CID 101298084

IUPAC1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate
SMILESCC(=O)OC(C)C1(C)CCC(C(C)C)CC1
InChIInChI=1S/C14H26O2/c1-10(2)13-6-8-14(5,9-7-13)11(3)16-12(4)15/h10-11,13H,6-9H2,1-5H3
InChIKeyJHZUNZZGNUDFFS-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.79
Rot. Bonds3

About 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate

1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate (PubChem CID 101298084) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate.

Molecular Properties

Compound Name1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate
PubChem CID101298084
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate
SMILESCC(=O)OC(C)C1(C)CCC(C(C)C)CC1
InChIInChI=1S/C14H26O2/c1-10(2)13-6-8-14(5,9-7-13)11(3)16-12(4)15/h10-11,13H,6-9H2,1-5H3
InChIKeyJHZUNZZGNUDFFS-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate?
The IUPAC name of 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate (CID 101298084) is 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate.
What is the SMILES notation for 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate?
The canonical SMILES for 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate is CC(=O)OC(C)C1(C)CCC(C(C)C)CC1.
What is the InChIKey of 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate?
The InChIKey is JHZUNZZGNUDFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)13-6-8-14(5,9-7-13)11(3)16-12(4)15/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate?
1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate has a molecular weight of 226.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-propan-2-ylcyclohexyl)ethyl acetate is sourced from PubChem (CID 101298084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).