3,7-dimethylocta-1,6-dien-3-ol;hexane

C16H32O — CID 135305503

IUPAC3,7-dimethylocta-1,6-dien-3-ol;hexane
SMILESC=CC(C)(O)CCC=C(C)C.CCCCCC
InChIInChI=1S/C10H18O.C6H14/c1-5-10(4,11)8-6-7-9(2)3;1-3-5-6-4-2/h5,7,11H,1,6,8H2,2-4H3;3-6H2,1-2H3
InChIKeyXSNVBRHMKKWGKB-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.26
Rot. Bonds7

About 3,7-dimethylocta-1,6-dien-3-ol;hexane

3,7-dimethylocta-1,6-dien-3-ol;hexane (PubChem CID 135305503) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-dien-3-ol;hexane.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-dien-3-ol;hexane
PubChem CID135305503
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name3,7-dimethylocta-1,6-dien-3-ol;hexane
SMILESC=CC(C)(O)CCC=C(C)C.CCCCCC
InChIInChI=1S/C10H18O.C6H14/c1-5-10(4,11)8-6-7-9(2)3;1-3-5-6-4-2/h5,7,11H,1,6,8H2,2-4H3;3-6H2,1-2H3
InChIKeyXSNVBRHMKKWGKB-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethylocta-1,6-dien-3-ol;hexyl acetate
CID 23346839
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
acetic acid;nonan-2-one;3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CID 159991235
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
3,7-dimethylocta-1,6-diene-1,3-diol;2,6-dimethyloct-7-ene-2,6-diol
CID 161231365
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
CID 10105646
3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol
CID 160907821
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
CID 139888264

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-1,6-dien-3-ol;hexane?
The IUPAC name of 3,7-dimethylocta-1,6-dien-3-ol;hexane (CID 135305503) is 3,7-dimethylocta-1,6-dien-3-ol;hexane.
What is the SMILES notation for 3,7-dimethylocta-1,6-dien-3-ol;hexane?
The canonical SMILES for 3,7-dimethylocta-1,6-dien-3-ol;hexane is C=CC(C)(O)CCC=C(C)C.CCCCCC.
What is the InChIKey of 3,7-dimethylocta-1,6-dien-3-ol;hexane?
The InChIKey is XSNVBRHMKKWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C6H14/c1-5-10(4,11)8-6-7-9(2)3;1-3-5-6-4-2/h5,7,11H,1,6,8H2,2-4H3;3-6H2,1-2H3.
What are the key properties of 3,7-dimethylocta-1,6-dien-3-ol;hexane?
3,7-dimethylocta-1,6-dien-3-ol;hexane has a molecular weight of 240.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-dien-3-ol;hexane is sourced from PubChem (CID 135305503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).