(3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol

C15H26O2 — CID 162914905

IUPAC(3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol
SMILESC=C(CC[C@H](O)C(C)(C)O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,13-14,16-17H,2,6-10H2,1,3-4H3/t13-,14-/m0/s1
InChIKeyICHZVZARHVXZEH-KBPBESRZSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds5

About (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol

(3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol (PubChem CID 162914905) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol.

Molecular Properties

Compound Name(3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol
PubChem CID162914905
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol
SMILESC=C(CC[C@H](O)C(C)(C)O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,13-14,16-17H,2,6-10H2,1,3-4H3/t13-,14-/m0/s1
InChIKeyICHZVZARHVXZEH-KBPBESRZSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.20
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 (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
The IUPAC name of (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol (CID 162914905) is (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol.
What is the SMILES notation for (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
The canonical SMILES for (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol is C=C(CC[C@H](O)C(C)(C)O)[C@H]1CC=C(C)CC1.
What is the InChIKey of (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
The InChIKey is ICHZVZARHVXZEH-KBPBESRZSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,13-14,16-17H,2,6-10H2,1,3-4H3/t13-,14-/m0/s1.
What are the key properties of (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
(3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol is sourced from PubChem (CID 162914905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).