2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate

C19H34O2 — CID 69125498

IUPAC2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
SMILESCCCC1CCC(C2CCC(CCOC(C)=O)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-4-16-5-9-18(10-6-16)19-11-7-17(8-12-19)13-14-21-15(2)20/h16-19H,3-14H2,1-2H3
InChIKeyXSKYOSVHMZRQQN-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.35
Rot. Bonds6

About 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate

2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate (PubChem CID 69125498) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
PubChem CID69125498
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
SMILESCCCC1CCC(C2CCC(CCOC(C)=O)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-4-16-5-9-18(10-6-16)19-11-7-17(8-12-19)13-14-21-15(2)20/h16-19H,3-14H2,1-2H3
InChIKeyXSKYOSVHMZRQQN-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate?
The IUPAC name of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate (CID 69125498) is 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate.
What is the SMILES notation for 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate?
The canonical SMILES for 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate is CCCC1CCC(C2CCC(CCOC(C)=O)CC2)CC1.
What is the InChIKey of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate?
The InChIKey is XSKYOSVHMZRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-4-16-5-9-18(10-6-16)19-11-7-17(8-12-19)13-14-21-15(2)20/h16-19H,3-14H2,1-2H3.
What are the key properties of 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate?
2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate has a molecular weight of 294.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate is sourced from PubChem (CID 69125498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).