(4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol

C12H22O6 — CID 18643460

IUPAC(4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol
SMILESCC(C)=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=C(C)C
InChIInChI=1S/C12H22O6/c1-5(2)7(13)9(15)11(17)12(18)10(16)8(14)6(3)4/h9-18H,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyPHJIZHSZHXTTCK-DDHJBXDOSA-N
MW262.30 g/mol
LogP0.13
Rot. Bonds5

About (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol

(4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol (PubChem CID 18643460) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol.

Molecular Properties

Compound Name(4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol
PubChem CID18643460
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name(4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol
SMILESCC(C)=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=C(C)C
InChIInChI=1S/C12H22O6/c1-5(2)7(13)9(15)11(17)12(18)10(16)8(14)6(3)4/h9-18H,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyPHJIZHSZHXTTCK-DDHJBXDOSA-N
XLogP0.13
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.30
LogP ≤ 50.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol?
The IUPAC name of (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol (CID 18643460) is (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol.
What is the SMILES notation for (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol?
The canonical SMILES for (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol is CC(C)=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=C(C)C.
What is the InChIKey of (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol?
The InChIKey is PHJIZHSZHXTTCK-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H22O6/c1-5(2)7(13)9(15)11(17)12(18)10(16)8(14)6(3)4/h9-18H,1-4H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol?
(4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol has a molecular weight of 262.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S,7S)-2,9-dimethyldeca-2,8-diene-3,4,5,6,7,8-hexol is sourced from PubChem (CID 18643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).