2-methyldeca-2,3-dien-1-ol

C11H20O — CID 86209644

IUPAC2-methyldeca-2,3-dien-1-ol
SMILESCCCCCCC=C=C(C)CO
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12/h8,12H,3-7,10H2,1-2H3
InChIKeyQSFZITQDFCCLFW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.05
Rot. Bonds6

About 2-methyldeca-2,3-dien-1-ol

2-methyldeca-2,3-dien-1-ol (PubChem CID 86209644) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyldeca-2,3-dien-1-ol.

Molecular Properties

Compound Name2-methyldeca-2,3-dien-1-ol
PubChem CID86209644
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methyldeca-2,3-dien-1-ol
SMILESCCCCCCC=C=C(C)CO
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12/h8,12H,3-7,10H2,1-2H3
InChIKeyQSFZITQDFCCLFW-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Undeca-2,3-dien-1-ol
CID 11105761
12-hydroxy-E-gamma-bisabolene
CID 6438821
Deca-2,3-dien-1-ol
CID 11094849
2-Methylhepta-2,3-dien-1-ol
CID 12507019
2-Methylocta-2,3-dien-1-ol
CID 15143004
Nona-2,3-dien-1-ol
CID 10103256
2-Methylundeca-2,3-dien-1-ol
CID 10375091
2-Methylocta-1,7-dien-3-ol
CID 11116157
(E)-2-methyldec-2-en-1-ol
CID 15095136
p-Mentha-1,4(8)-dien-9-ol
CID 85883368
2-Dodecen-1-ol, 2-methyl-, (E)-
CID 20063593
Germacrene B alcohol
CID 91748783

Frequently Asked Questions

What is the IUPAC name of 2-methyldeca-2,3-dien-1-ol?
The IUPAC name of 2-methyldeca-2,3-dien-1-ol (CID 86209644) is 2-methyldeca-2,3-dien-1-ol.
What is the SMILES notation for 2-methyldeca-2,3-dien-1-ol?
The canonical SMILES for 2-methyldeca-2,3-dien-1-ol is CCCCCCC=C=C(C)CO.
What is the InChIKey of 2-methyldeca-2,3-dien-1-ol?
The InChIKey is QSFZITQDFCCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 2-methyldeca-2,3-dien-1-ol?
2-methyldeca-2,3-dien-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldeca-2,3-dien-1-ol is sourced from PubChem (CID 86209644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).