(4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol

C12H22O2 — CID 14805467

IUPAC(4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol
SMILESC=C(C)/C=C/[C@H](O)C[C@@H](C)CCCO
InChIInChI=1S/C12H22O2/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h6-7,11-14H,1,4-5,8-9H2,2-3H3/b7-6+/t11-,12-/m0/s1
InChIKeyAQCUUOFORRMCPV-KZQRZKTQSA-N
MW198.31 g/mol
LogP2.28
Rot. Bonds7

About (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol

(4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol (PubChem CID 14805467) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol.

Molecular Properties

Compound Name(4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol
PubChem CID14805467
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol
SMILESC=C(C)/C=C/[C@H](O)C[C@@H](C)CCCO
InChIInChI=1S/C12H22O2/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h6-7,11-14H,1,4-5,8-9H2,2-3H3/b7-6+/t11-,12-/m0/s1
InChIKeyAQCUUOFORRMCPV-KZQRZKTQSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol?
The IUPAC name of (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol (CID 14805467) is (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol.
What is the SMILES notation for (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol?
The canonical SMILES for (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol is C=C(C)/C=C/[C@H](O)C[C@@H](C)CCCO.
What is the InChIKey of (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol?
The InChIKey is AQCUUOFORRMCPV-KZQRZKTQSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h6-7,11-14H,1,4-5,8-9H2,2-3H3/b7-6+/t11-,12-/m0/s1.
What are the key properties of (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol?
(4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol has a molecular weight of 198.31 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol is sourced from PubChem (CID 14805467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).