(1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate

C15H24O2 — CID 141093280

IUPAC(1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate
SMILESCC(=O)OC(C=CCC(C)C)C1C=CCCC1
InChIInChI=1S/C15H24O2/c1-12(2)8-7-11-15(17-13(3)16)14-9-5-4-6-10-14/h5,7,9,11-12,14-15H,4,6,8,10H2,1-3H3
InChIKeyCZBARBARSOBHLC-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.88
Rot. Bonds5

About (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate

(1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate (PubChem CID 141093280) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate.

Molecular Properties

Compound Name(1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate
PubChem CID141093280
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate
SMILESCC(=O)OC(C=CCC(C)C)C1C=CCCC1
InChIInChI=1S/C15H24O2/c1-12(2)8-7-11-15(17-13(3)16)14-9-5-4-6-10-14/h5,7,9,11-12,14-15H,4,6,8,10H2,1-3H3
InChIKeyCZBARBARSOBHLC-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.88
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

Carvyl acetate
CID 7335
Perillyl acetate
CID 61780
Carvyl propionate, (+-)-
CID 7336
p-Mentha-1,8(10)-dien-9-yl acetate
CID 61781
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate
CID 103607
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
10-Methyldodec-2-en-4-olide
CID 21778198
2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438

Frequently Asked Questions

What is the IUPAC name of (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate?
The IUPAC name of (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate (CID 141093280) is (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate.
What is the SMILES notation for (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate?
The canonical SMILES for (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate is CC(=O)OC(C=CCC(C)C)C1C=CCCC1.
What is the InChIKey of (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate?
The InChIKey is CZBARBARSOBHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)8-7-11-15(17-13(3)16)14-9-5-4-6-10-14/h5,7,9,11-12,14-15H,4,6,8,10H2,1-3H3.
What are the key properties of (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate?
(1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate has a molecular weight of 236.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohex-2-en-1-yl-5-methylhex-2-enyl) acetate is sourced from PubChem (CID 141093280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).