3-methyldeca-4,6-dien-3-ol

C11H20O — CID 54203983

IUPAC3-methyldeca-4,6-dien-3-ol
SMILESCCCC=CC=CC(C)(O)CC
InChIInChI=1S/C11H20O/c1-4-6-7-8-9-10-11(3,12)5-2/h7-10,12H,4-6H2,1-3H3
InChIKeyPRFJKOYPOSZCNC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds5

About 3-methyldeca-4,6-dien-3-ol

3-methyldeca-4,6-dien-3-ol (PubChem CID 54203983) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyldeca-4,6-dien-3-ol.

Molecular Properties

Compound Name3-methyldeca-4,6-dien-3-ol
PubChem CID54203983
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyldeca-4,6-dien-3-ol
SMILESCCCC=CC=CC(C)(O)CC
InChIInChI=1S/C11H20O/c1-4-6-7-8-9-10-11(3,12)5-2/h7-10,12H,4-6H2,1-3H3
InChIKeyPRFJKOYPOSZCNC-UHFFFAOYSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methylocta-4,6-dien-3-ol
CID 71319596
(E)-2,5-dimethyldec-6-en-5-ol
CID 135000141
(E)-3-methyldec-6-en-3-ol
CID 20571537
(E)-2,2-dimethylhept-3-ene
CID 5352650
(3Z)-hepta-1,3-diene
CID 6427773
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
3-methylnona-1,3,5-triene
CID 154088357
octa-2,4-dien-1-amine
CID 3847298
(E)-2,2-dimethylhept-3-en-1-ol
CID 130125025
(3E)-nona-3,5-dien-2-one
CID 131243861
hepta-1,3-dienylboronic acid
CID 85176249
(3Z,5E)-nona-3,5-dien-1-yne
CID 100974514

Frequently Asked Questions

What is the IUPAC name of 3-methyldeca-4,6-dien-3-ol?
The IUPAC name of 3-methyldeca-4,6-dien-3-ol (CID 54203983) is 3-methyldeca-4,6-dien-3-ol.
What is the SMILES notation for 3-methyldeca-4,6-dien-3-ol?
The canonical SMILES for 3-methyldeca-4,6-dien-3-ol is CCCC=CC=CC(C)(O)CC.
What is the InChIKey of 3-methyldeca-4,6-dien-3-ol?
The InChIKey is PRFJKOYPOSZCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-7-8-9-10-11(3,12)5-2/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 3-methyldeca-4,6-dien-3-ol?
3-methyldeca-4,6-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 3-methyldeca-4,6-dien-3-ol is sourced from PubChem (CID 54203983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).