(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid

C15H24O3 — CID 143944061

IUPAC(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
SMILESCC1=CC[C@@H]([C@](C)(O)CC/C=C(\C)C(=O)O)CC1
InChIInChI=1S/C15H24O3/c1-11-6-8-13(9-7-11)15(3,18)10-4-5-12(2)14(16)17/h5-6,13,18H,4,7-10H2,1-3H3,(H,16,17)/b12-5+/t13-,15-/m1/s1
InChIKeyVUXONSVWNIPSSB-WZGFARJESA-N
MW252.35 g/mol
LogP3.29
Rot. Bonds5

About (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid

(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid (PubChem CID 143944061) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid.

Molecular Properties

Compound Name(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
PubChem CID143944061
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
SMILESCC1=CC[C@@H]([C@](C)(O)CC/C=C(\C)C(=O)O)CC1
InChIInChI=1S/C15H24O3/c1-11-6-8-13(9-7-11)15(3,18)10-4-5-12(2)14(16)17/h5-6,13,18H,4,7-10H2,1-3H3,(H,16,17)/b12-5+/t13-,15-/m1/s1
InChIKeyVUXONSVWNIPSSB-WZGFARJESA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658569
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate
CID 14539943
(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol
CID 14707137
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
CID 87471905
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl (E)-2-methylbut-2-enoate
CID 91754109
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
CID 14610889

Frequently Asked Questions

What is the IUPAC name of (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid?
The IUPAC name of (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid (CID 143944061) is (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid.
What is the SMILES notation for (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid?
The canonical SMILES for (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid is CC1=CC[C@@H]([C@](C)(O)CC/C=C(\C)C(=O)O)CC1.
What is the InChIKey of (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid?
The InChIKey is VUXONSVWNIPSSB-WZGFARJESA-N. The full InChI is InChI=1S/C15H24O3/c1-11-6-8-13(9-7-11)15(3,18)10-4-5-12(2)14(16)17/h5-6,13,18H,4,7-10H2,1-3H3,(H,16,17)/b12-5+/t13-,15-/m1/s1.
What are the key properties of (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid?
(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid is sourced from PubChem (CID 143944061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).