(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol

C15H26O2 — CID 14707137

IUPAC(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol
SMILESC=C(C)C(O)CC[C@](C)(O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C15H26O2/c1-11(2)14(16)9-10-15(4,17)13-7-5-12(3)6-8-13/h5,13-14,16-17H,1,6-10H2,2-4H3/t13-,14?,15+/m1/s1
InChIKeyIKHCIHJARXBOEP-LOWNFYCTSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds5

About (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol

(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol (PubChem CID 14707137) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol.

Molecular Properties

Compound Name(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol
PubChem CID14707137
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol
SMILESC=C(C)C(O)CC[C@](C)(O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C15H26O2/c1-11(2)14(16)9-10-15(4,17)13-7-5-12(3)6-8-13/h5,13-14,16-17H,1,6-10H2,2-4H3/t13-,14?,15+/m1/s1
InChIKeyIKHCIHJARXBOEP-LOWNFYCTSA-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 (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol?
The IUPAC name of (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol (CID 14707137) is (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol.
What is the SMILES notation for (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol?
The canonical SMILES for (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol is C=C(C)C(O)CC[C@](C)(O)[C@@H]1CC=C(C)CC1.
What is the InChIKey of (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol?
The InChIKey is IKHCIHJARXBOEP-LOWNFYCTSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)14(16)9-10-15(4,17)13-7-5-12(3)6-8-13/h5,13-14,16-17H,1,6-10H2,2-4H3/t13-,14?,15+/m1/s1.
What are the key properties of (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol?
(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-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 (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol is sourced from PubChem (CID 14707137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).