(2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate

C12H18O2 — CID 101413668

IUPAC(2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate
SMILESC=C1C=CC(C(C)C)CC1OC(C)=O
InChIInChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3
InChIKeyFOSCFYGDBSMRFI-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.71
Rot. Bonds2

About (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate

(2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate (PubChem CID 101413668) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate.

Molecular Properties

Compound Name(2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate
PubChem CID101413668
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate
SMILESC=C1C=CC(C(C)C)CC1OC(C)=O
InChIInChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3
InChIKeyFOSCFYGDBSMRFI-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carvyl acetate
CID 7335
Carvyl propionate, (+-)-
CID 7336
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
beta-Ionyl acetate
CID 90720
Carvyl acetate, (1S,5R)-
CID 81505
beta-Ionyl acetate, (E)-
CID 5797328
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
[(3E)-3,11-dimethyl-7-methylidenedodeca-1,3,10-trien-6-yl] acetate
CID 10491749
2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438
Lutein diacetate
CID 11215944

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate?
The IUPAC name of (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate (CID 101413668) is (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate.
What is the SMILES notation for (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate?
The canonical SMILES for (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate is C=C1C=CC(C(C)C)CC1OC(C)=O.
What is the InChIKey of (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate?
The InChIKey is FOSCFYGDBSMRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3.
What are the key properties of (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate?
(2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate has a molecular weight of 194.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-5-propan-2-ylcyclohex-3-en-1-yl) acetate is sourced from PubChem (CID 101413668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).