(2-cyclohexylidenecyclohexyl) prop-2-enoate

C15H22O2 — CID 139893991

IUPAC(2-cyclohexylidenecyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCCCC1=C1CCCCC1
InChIInChI=1S/C15H22O2/c1-2-15(16)17-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h2,14H,1,3-11H2
InChIKeyHNGJKTPMLWDOAX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.92
Rot. Bonds2

About (2-cyclohexylidenecyclohexyl) prop-2-enoate

(2-cyclohexylidenecyclohexyl) prop-2-enoate (PubChem CID 139893991) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2-cyclohexylidenecyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(2-cyclohexylidenecyclohexyl) prop-2-enoate
PubChem CID139893991
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2-cyclohexylidenecyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCCCC1=C1CCCCC1
InChIInChI=1S/C15H22O2/c1-2-15(16)17-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h2,14H,1,3-11H2
InChIKeyHNGJKTPMLWDOAX-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclopentylidenecyclopentyl) prop-2-enoate
CID 139893986
8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate
CID 141343042
1-cyclopentylidene-2-hydroperoxycyclopentane
CID 14592797
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
(2,6-dioxooxan-3-yl) prop-2-enoate
CID 150861721
CID 159294157
CID 159294157
[(1S,5S)-5-acetyloxy-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl] acetate
CID 10658458
(6-oxooxan-2-yl) prop-2-enoate
CID 67204371
1,1-dicyclohexylethyl prop-2-enoate
CID 23450575

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylidenecyclohexyl) prop-2-enoate?
The IUPAC name of (2-cyclohexylidenecyclohexyl) prop-2-enoate (CID 139893991) is (2-cyclohexylidenecyclohexyl) prop-2-enoate.
What is the SMILES notation for (2-cyclohexylidenecyclohexyl) prop-2-enoate?
The canonical SMILES for (2-cyclohexylidenecyclohexyl) prop-2-enoate is C=CC(=O)OC1CCCCC1=C1CCCCC1.
What is the InChIKey of (2-cyclohexylidenecyclohexyl) prop-2-enoate?
The InChIKey is HNGJKTPMLWDOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-15(16)17-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h2,14H,1,3-11H2.
What are the key properties of (2-cyclohexylidenecyclohexyl) prop-2-enoate?
(2-cyclohexylidenecyclohexyl) prop-2-enoate has a molecular weight of 234.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylidenecyclohexyl) prop-2-enoate is sourced from PubChem (CID 139893991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).