(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate

C17H26O2 — CID 134301847

IUPAC(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate
SMILESC=C(C)C1CC=C(COC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H26O2/c1-13(2)15-10-8-14(9-11-15)12-19-17(18)16-6-4-3-5-7-16/h8,15-16H,1,3-7,9-12H2,2H3
InChIKeyLBJHAFYVQJICJH-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.41
Rot. Bonds4

About (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate

(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate (PubChem CID 134301847) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate
PubChem CID134301847
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate
SMILESC=C(C)C1CC=C(COC(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H26O2/c1-13(2)15-10-8-14(9-11-15)12-19-17(18)16-6-4-3-5-7-16/h8,15-16H,1,3-7,9-12H2,2H3
InChIKeyLBJHAFYVQJICJH-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 167865934
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4-methylbenzoate
CID 101152307
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl nitrite
CID 162522511
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4-chlorobenzoate
CID 58512647
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 2-methoxybenzoate
CID 101152308
2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
CID 11680270
2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate
CID 102248268
3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid
CID 10583976
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4-carbamoyl-1-methylpyrrole-2-carboxylate
CID 99592075
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 4-carbamoyl-1-methylpyrrole-2-carboxylate
CID 102559492
4-chlorobenzoyl chloride;[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol;[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4-chlorobenzoate
CID 157108843
(4-prop-1-en-2-ylcyclohexen-1-yl)methanesulfonic acid
CID 118596934

Frequently Asked Questions

What is the IUPAC name of (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate?
The IUPAC name of (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate (CID 134301847) is (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate?
The canonical SMILES for (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate is C=C(C)C1CC=C(COC(=O)C2CCCCC2)CC1.
What is the InChIKey of (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate?
The InChIKey is LBJHAFYVQJICJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)15-10-8-14(9-11-15)12-19-17(18)16-6-4-3-5-7-16/h8,15-16H,1,3-7,9-12H2,2H3.
What are the key properties of (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate?
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate has a molecular weight of 262.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 134301847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).