(3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol

C15H24O2 — CID 132500369

IUPAC(3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol
SMILESC=C([C@H]1CC=C(C)CC1)[C@@H](O)/C=C/C(C)(C)O
InChIInChI=1S/C15H24O2/c1-11-5-7-13(8-6-11)12(2)14(16)9-10-15(3,4)17/h5,9-10,13-14,16-17H,2,6-8H2,1,3-4H3/b10-9+/t13-,14-/m0/s1
InChIKeyAYLBFSBFZZTXJH-KYXFNPKGSA-N
MW236.35 g/mol
LogP2.98
Rot. Bonds4

About (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol

(3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol (PubChem CID 132500369) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol.

Molecular Properties

Compound Name(3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol
PubChem CID132500369
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol
SMILESC=C([C@H]1CC=C(C)CC1)[C@@H](O)/C=C/C(C)(C)O
InChIInChI=1S/C15H24O2/c1-11-5-7-13(8-6-11)12(2)14(16)9-10-15(3,4)17/h5,9-10,13-14,16-17H,2,6-8H2,1,3-4H3/b10-9+/t13-,14-/m0/s1
InChIKeyAYLBFSBFZZTXJH-KYXFNPKGSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol?
The IUPAC name of (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol (CID 132500369) is (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol.
What is the SMILES notation for (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol?
The canonical SMILES for (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol is C=C([C@H]1CC=C(C)CC1)[C@@H](O)/C=C/C(C)(C)O.
What is the InChIKey of (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol?
The InChIKey is AYLBFSBFZZTXJH-KYXFNPKGSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-7-13(8-6-11)12(2)14(16)9-10-15(3,4)17/h5,9-10,13-14,16-17H,2,6-8H2,1,3-4H3/b10-9+/t13-,14-/m0/s1.
What are the key properties of (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol?
(3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol has a molecular weight of 236.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-diene-2,5-diol is sourced from PubChem (CID 132500369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).