methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate

C16H26O3 — CID 14539943

IUPACmethyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate
SMILESCOC(=O)C1=CCC(C(C)(O)CCC=C(C)C)CC1
InChIInChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3
InChIKeyZOJSSXJDOHFOTI-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.38
Rot. Bonds5

About methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate

methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate (PubChem CID 14539943) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate
PubChem CID14539943
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Namemethyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate
SMILESCOC(=O)C1=CCC(C(C)(O)CCC=C(C)C)CC1
InChIInChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3
InChIKeyZOJSSXJDOHFOTI-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
CID 143944061
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134827941
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658569
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
CID 15599953
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
CID 87471905
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
CID 101488418
(3S)-3-[(1R)-4-methoxycarbonylcyclohex-3-en-1-yl]butanoic acid
CID 14216828
methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986650

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate?
The IUPAC name of methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate (CID 14539943) is methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate is COC(=O)C1=CCC(C(C)(O)CCC=C(C)C)CC1.
What is the InChIKey of methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate?
The InChIKey is ZOJSSXJDOHFOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12(2)6-5-11-16(3,18)14-9-7-13(8-10-14)15(17)19-4/h6-7,14,18H,5,8-11H2,1-4H3.
What are the key properties of methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate?
methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate is sourced from PubChem (CID 14539943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).