3-ethylnona-1,2-dien-4-ol

C11H20O — CID 86016621

IUPAC3-ethylnona-1,2-dien-4-ol
SMILESC=C=C(CC)C(O)CCCCC
InChIInChI=1S/C11H20O/c1-4-7-8-9-11(12)10(5-2)6-3/h11-12H,2,4,6-9H2,1,3H3
InChIKeyYSRHWXJYRBMUOU-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.05
Rot. Bonds6

About 3-ethylnona-1,2-dien-4-ol

3-ethylnona-1,2-dien-4-ol (PubChem CID 86016621) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethylnona-1,2-dien-4-ol.

Molecular Properties

Compound Name3-ethylnona-1,2-dien-4-ol
PubChem CID86016621
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-ethylnona-1,2-dien-4-ol
SMILESC=C=C(CC)C(O)CCCCC
InChIInChI=1S/C11H20O/c1-4-7-8-9-11(12)10(5-2)6-3/h11-12H,2,4,6-9H2,1,3H3
InChIKeyYSRHWXJYRBMUOU-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

(3S)-4-ethenylidenenonan-3-ol
CID 101219622
(3S)-4-ethyl-1-phenylhexa-4,5-dien-3-ol
CID 102158712
methyl (3R)-2-ethenylidene-3-hydroxyoctanoate
CID 71536935
methyl 2-ethenylidene-3-hydroxyoctanoate
CID 16742714
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
dodecane-1,1-diol;dihydrochloride
CID 87128887
CID 172691644
CID 172691644
1,1,2-tribromooct-1-en-3-ol
CID 10785026
2-hydroxyheptanoic acid
CID 2750949

Frequently Asked Questions

What is the IUPAC name of 3-ethylnona-1,2-dien-4-ol?
The IUPAC name of 3-ethylnona-1,2-dien-4-ol (CID 86016621) is 3-ethylnona-1,2-dien-4-ol.
What is the SMILES notation for 3-ethylnona-1,2-dien-4-ol?
The canonical SMILES for 3-ethylnona-1,2-dien-4-ol is C=C=C(CC)C(O)CCCCC.
What is the InChIKey of 3-ethylnona-1,2-dien-4-ol?
The InChIKey is YSRHWXJYRBMUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-8-9-11(12)10(5-2)6-3/h11-12H,2,4,6-9H2,1,3H3.
What are the key properties of 3-ethylnona-1,2-dien-4-ol?
3-ethylnona-1,2-dien-4-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 3-ethylnona-1,2-dien-4-ol is sourced from PubChem (CID 86016621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).