(3E)-4,8-dimethylnona-3,7-dien-2-ol

C11H20O — CID 5365818

IUPAC(3E)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(C)O
InChIInChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+
InChIKeyNYPOJSCNHYUZRG-CSKARUKUSA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds4

About (3E)-4,8-dimethylnona-3,7-dien-2-ol

(3E)-4,8-dimethylnona-3,7-dien-2-ol (PubChem CID 5365818) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3E)-4,8-dimethylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E)-4,8-dimethylnona-3,7-dien-2-ol
PubChem CID5365818
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3E)-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(C)O
InChIInChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+
InChIKeyNYPOJSCNHYUZRG-CSKARUKUSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geraniol
CID 637566
Farnesol
CID 445070
Nerol
CID 643820
Solanesol
CID 5477212
Geranylgeraniol
CID 5281365
(2-cis,6-trans)-Farnesol
CID 1549108
6-Methyl-5-hepten-2-ol
CID 20745
2-Octen-1-ol, (2E)-
CID 5318599
Oct-2-en-1-ol
CID 29060
3-Octen-2-ol
CID 42538
2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-
CID 5363397

Frequently Asked Questions

What is the IUPAC name of (3E)-4,8-dimethylnona-3,7-dien-2-ol?
The IUPAC name of (3E)-4,8-dimethylnona-3,7-dien-2-ol (CID 5365818) is (3E)-4,8-dimethylnona-3,7-dien-2-ol.
What is the SMILES notation for (3E)-4,8-dimethylnona-3,7-dien-2-ol?
The canonical SMILES for (3E)-4,8-dimethylnona-3,7-dien-2-ol is CC(C)=CCC/C(C)=C/C(C)O.
What is the InChIKey of (3E)-4,8-dimethylnona-3,7-dien-2-ol?
The InChIKey is NYPOJSCNHYUZRG-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+.
What are the key properties of (3E)-4,8-dimethylnona-3,7-dien-2-ol?
(3E)-4,8-dimethylnona-3,7-dien-2-ol has a molecular weight of 168.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethylnona-3,7-dien-2-ol is sourced from PubChem (CID 5365818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).