(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol

C11H20O — CID 38988672

IUPAC(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC
InChIInChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+/t11-/m1/s1
InChIKeyKRLBLPBPZSSIGH-RJCSOLBVSA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds5

About (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol

(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol (PubChem CID 38988672) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol.

Molecular Properties

Compound Name(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
PubChem CID38988672
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC
InChIInChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+/t11-/m1/s1
InChIKeyKRLBLPBPZSSIGH-RJCSOLBVSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
CID 134861402
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188
(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
(6E,9E)-3,7,11-trimethyldodeca-1,6,9-trien-3-ol
CID 91751280
2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
CID 162816980
(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
CID 10397471

Frequently Asked Questions

What is the IUPAC name of (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol?
The IUPAC name of (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol (CID 38988672) is (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol.
What is the SMILES notation for (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol?
The canonical SMILES for (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol is C=C[C@@](C)(O)CC/C=C(\C)CC.
What is the InChIKey of (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol?
The InChIKey is KRLBLPBPZSSIGH-RJCSOLBVSA-N. The full InChI is InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+/t11-/m1/s1.
What are the key properties of (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol?
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol has a molecular weight of 168.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E)-3,7-dimethylnona-1,6-dien-3-ol is sourced from PubChem (CID 38988672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).