3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate

C18H30O2 — CID 70268228

IUPAC3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H30O2/c1-2-18(19)20-14-6-7-15-10-12-17(13-11-15)16-8-4-3-5-9-16/h2,15-17H,1,3-14H2
InChIKeyQDZZAXACWFZIMZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.88
Rot. Bonds6

About 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate

3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate (PubChem CID 70268228) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
PubChem CID70268228
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H30O2/c1-2-18(19)20-14-6-7-15-10-12-17(13-11-15)16-8-4-3-5-9-16/h2,15-17H,1,3-14H2
InChIKeyQDZZAXACWFZIMZ-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate?
The IUPAC name of 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate (CID 70268228) is 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate.
What is the SMILES notation for 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate?
The canonical SMILES for 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate is C=CC(=O)OCCCC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate?
The InChIKey is QDZZAXACWFZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-18(19)20-14-6-7-15-10-12-17(13-11-15)16-8-4-3-5-9-16/h2,15-17H,1,3-14H2.
What are the key properties of 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate?
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate has a molecular weight of 278.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate is sourced from PubChem (CID 70268228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).