(2E)-5,9-dimethyldeca-2,8-dien-1-ol

C12H22O — CID 12578585

IUPAC(2E)-5,9-dimethyldeca-2,8-dien-1-ol
SMILESCC(C)=CCCC(C)C/C=C/CO
InChIInChI=1S/C12H22O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h4-5,7,12-13H,6,8-10H2,1-3H3/b5-4+
InChIKeyALVNVYLEXXKDND-SNAWJCMRSA-N
MW182.31 g/mol
LogP3.31
Rot. Bonds6

About (2E)-5,9-dimethyldeca-2,8-dien-1-ol

(2E)-5,9-dimethyldeca-2,8-dien-1-ol (PubChem CID 12578585) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E)-5,9-dimethyldeca-2,8-dien-1-ol.

Molecular Properties

Compound Name(2E)-5,9-dimethyldeca-2,8-dien-1-ol
PubChem CID12578585
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2E)-5,9-dimethyldeca-2,8-dien-1-ol
SMILESCC(C)=CCCC(C)C/C=C/CO
InChIInChI=1S/C12H22O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h4-5,7,12-13H,6,8-10H2,1-3H3/b5-4+
InChIKeyALVNVYLEXXKDND-SNAWJCMRSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.31
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

Geraniol
CID 637566
Farnesol
CID 445070
Nerol
CID 643820
Phytol
CID 5280435
(2-cis,6-trans)-Farnesol
CID 1549108
2-Octen-1-ol, (2E)-
CID 5318599
alpha-IONOL
CID 5363817
Oct-2-en-1-ol
CID 29060
3,7,11,15-Tetramethyl-2-hexadecen-1-OL
CID 5366244
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
2-Octen-1-ol, (2Z)-
CID 5364959
3,7-Dimethyl-2,6-octadienol
CID 4458

Frequently Asked Questions

What is the IUPAC name of (2E)-5,9-dimethyldeca-2,8-dien-1-ol?
The IUPAC name of (2E)-5,9-dimethyldeca-2,8-dien-1-ol (CID 12578585) is (2E)-5,9-dimethyldeca-2,8-dien-1-ol.
What is the SMILES notation for (2E)-5,9-dimethyldeca-2,8-dien-1-ol?
The canonical SMILES for (2E)-5,9-dimethyldeca-2,8-dien-1-ol is CC(C)=CCCC(C)C/C=C/CO.
What is the InChIKey of (2E)-5,9-dimethyldeca-2,8-dien-1-ol?
The InChIKey is ALVNVYLEXXKDND-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h4-5,7,12-13H,6,8-10H2,1-3H3/b5-4+.
What are the key properties of (2E)-5,9-dimethyldeca-2,8-dien-1-ol?
(2E)-5,9-dimethyldeca-2,8-dien-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,9-dimethyldeca-2,8-dien-1-ol is sourced from PubChem (CID 12578585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).