2-ethyl-6-methylocta-3,5-dien-1-ol

C11H20O — CID 88809517

IUPAC2-ethyl-6-methylocta-3,5-dien-1-ol
SMILESCCC(C)=CC=CC(CC)CO
InChIInChI=1S/C11H20O/c1-4-10(3)7-6-8-11(5-2)9-12/h6-8,11-12H,4-5,9H2,1-3H3
InChIKeyPXSUSEPTZUFJFY-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds5

About 2-ethyl-6-methylocta-3,5-dien-1-ol

2-ethyl-6-methylocta-3,5-dien-1-ol (PubChem CID 88809517) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-6-methylocta-3,5-dien-1-ol.

Molecular Properties

Compound Name2-ethyl-6-methylocta-3,5-dien-1-ol
PubChem CID88809517
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethyl-6-methylocta-3,5-dien-1-ol
SMILESCCC(C)=CC=CC(CC)CO
InChIInChI=1S/C11H20O/c1-4-10(3)7-6-8-11(5-2)9-12/h6-8,11-12H,4-5,9H2,1-3H3
InChIKeyPXSUSEPTZUFJFY-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-methyl-7-methylsulfanylnona-3,5-diene
CID 142123449
3-ethyl-7-methylundeca-4,6-diene
CID 123921813
2-ethylhex-3-en-1-ol
CID 543244
(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene
CID 165001579
(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
CID 24773196
2-ethylhex-3-ene-1,6-diol
CID 57320301
2,5-dimethylhepta-2,4-diene
CID 54097255
(3E,5E)-2,6-dimethylocta-1,3,5-triene-1,1-diol
CID 19107719
7-methylnona-4,6-dien-3-one
CID 90846612
(5E)-2,6-dimethylocta-3,5-dien-2-ol
CID 6436463
(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide
CID 174026900
5-ethyl-3,7-dimethylundeca-3,7-diene
CID 123154835

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylocta-3,5-dien-1-ol?
The IUPAC name of 2-ethyl-6-methylocta-3,5-dien-1-ol (CID 88809517) is 2-ethyl-6-methylocta-3,5-dien-1-ol.
What is the SMILES notation for 2-ethyl-6-methylocta-3,5-dien-1-ol?
The canonical SMILES for 2-ethyl-6-methylocta-3,5-dien-1-ol is CCC(C)=CC=CC(CC)CO.
What is the InChIKey of 2-ethyl-6-methylocta-3,5-dien-1-ol?
The InChIKey is PXSUSEPTZUFJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-10(3)7-6-8-11(5-2)9-12/h6-8,11-12H,4-5,9H2,1-3H3.
What are the key properties of 2-ethyl-6-methylocta-3,5-dien-1-ol?
2-ethyl-6-methylocta-3,5-dien-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylocta-3,5-dien-1-ol is sourced from PubChem (CID 88809517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).