(4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate

C15H24O2 — CID 91698248

IUPAC(4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC1CCC(C)=CC1C(C)C
InChIInChI=1S/C15H24O2/c1-6-12(5)15(16)17-14-8-7-11(4)9-13(14)10(2)3/h6,9-10,13-14H,7-8H2,1-5H3/b12-6+
InChIKeyRESZITFKKNWSBU-WUXMJOGZSA-N
MW236.35 g/mol
LogP3.88
Rot. Bonds3

About (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate

(4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate (PubChem CID 91698248) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name(4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate
PubChem CID91698248
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC1CCC(C)=CC1C(C)C
InChIInChI=1S/C15H24O2/c1-6-12(5)15(16)17-14-8-7-11(4)9-13(14)10(2)3/h6,9-10,13-14H,7-8H2,1-5H3/b12-6+
InChIKeyRESZITFKKNWSBU-WUXMJOGZSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Carvyl acetate
CID 7335
Citronellyl tiglate
CID 6386037
Carvyl propionate, (+-)-
CID 7336
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Aristolactone
CID 13821316
Carvyl acetate, (1S,5S)-
CID 81544
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
10-Methyldodec-2-en-4-olide
CID 21778198
(4E,8S,9S)-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
CID 155559006
(6E,10R,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 15523780
Latrunculeic Acid
CID 11426344

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate?
The IUPAC name of (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate (CID 91698248) is (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate.
What is the SMILES notation for (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate?
The canonical SMILES for (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OC1CCC(C)=CC1C(C)C.
What is the InChIKey of (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate?
The InChIKey is RESZITFKKNWSBU-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-12(5)15(16)17-14-8-7-11(4)9-13(14)10(2)3/h6,9-10,13-14H,7-8H2,1-5H3/b12-6+.
What are the key properties of (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate?
(4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-ylcyclohex-3-en-1-yl) (E)-2-methylbut-2-enoate is sourced from PubChem (CID 91698248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).