5,9-dimethyldeca-2,8-dien-5-ol

C12H22O — CID 141182025

IUPAC5,9-dimethyldeca-2,8-dien-5-ol
SMILESCC=CCC(C)(O)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-6-9-12(4,13)10-7-8-11(2)3/h5-6,8,13H,7,9-10H2,1-4H3
InChIKeyYQNUTPGFSUDAQM-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds5

About 5,9-dimethyldeca-2,8-dien-5-ol

5,9-dimethyldeca-2,8-dien-5-ol (PubChem CID 141182025) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5,9-dimethyldeca-2,8-dien-5-ol.

Molecular Properties

Compound Name5,9-dimethyldeca-2,8-dien-5-ol
PubChem CID141182025
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5,9-dimethyldeca-2,8-dien-5-ol
SMILESCC=CCC(C)(O)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-5-6-9-12(4,13)10-7-8-11(2)3/h5-6,8,13H,7,9-10H2,1-4H3
InChIKeyYQNUTPGFSUDAQM-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.45
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

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(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
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CID 163844448
(3S)-3-amino-3,7-dimethyloct-6-enal
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(3Z)-4,8-dimethylnona-3,7-diene-2,2-diol
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(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
4,4,8-trimethylnon-7-enal
CID 121006941
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
CID 3035757
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyldeca-2,8-dien-5-ol?
The IUPAC name of 5,9-dimethyldeca-2,8-dien-5-ol (CID 141182025) is 5,9-dimethyldeca-2,8-dien-5-ol.
What is the SMILES notation for 5,9-dimethyldeca-2,8-dien-5-ol?
The canonical SMILES for 5,9-dimethyldeca-2,8-dien-5-ol is CC=CCC(C)(O)CCC=C(C)C.
What is the InChIKey of 5,9-dimethyldeca-2,8-dien-5-ol?
The InChIKey is YQNUTPGFSUDAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-9-12(4,13)10-7-8-11(2)3/h5-6,8,13H,7,9-10H2,1-4H3.
What are the key properties of 5,9-dimethyldeca-2,8-dien-5-ol?
5,9-dimethyldeca-2,8-dien-5-ol has a molecular weight of 182.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyldeca-2,8-dien-5-ol is sourced from PubChem (CID 141182025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).