4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol

C15H28O — CID 10966171

IUPAC4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
SMILESC=CC(C)(CCC=C(C)C)C(O)(CC)CC
InChIInChI=1S/C15H28O/c1-7-14(6,12-10-11-13(4)5)15(16,8-2)9-3/h7,11,16H,1,8-10,12H2,2-6H3
InChIKeyCPRMLWYHVQDAFU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.48
Rot. Bonds7

About 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol

4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol (PubChem CID 10966171) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol.

Molecular Properties

Compound Name4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
PubChem CID10966171
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
SMILESC=CC(C)(CCC=C(C)C)C(O)(CC)CC
InChIInChI=1S/C15H28O/c1-7-14(6,12-10-11-13(4)5)15(16,8-2)9-3/h7,11,16H,1,8-10,12H2,2-6H3
InChIKeyCPRMLWYHVQDAFU-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.48
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

3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol
CID 160907821
4-[(2S,3R)-3-ethenyl-2-hydroxy-3,7-dimethyloct-6-en-2-yl]benzonitrile
CID 122214987
6-ethenyl-2,6-dimethyl-8-methylidenedec-2-ene
CID 154718981
(2S,3S)-3-ethenyl-3,7-dimethyl-2-naphthalen-2-yloct-6-en-2-ol
CID 122214982
[4-[(2S,3S)-3-ethenyl-2-hydroxy-3,7-dimethyloct-6-en-2-yl]phenyl] acetate
CID 122214979
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
methyl 2-ethenyl-2-ethyl-7-methyloct-6-enoate
CID 89487800
(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
CID 10105646
3,7-dimethylocta-1,6-diene-1,3-diol;2,6-dimethyloct-7-ene-2,6-diol
CID 161231365

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol?
The IUPAC name of 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol (CID 10966171) is 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol.
What is the SMILES notation for 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol?
The canonical SMILES for 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol is C=CC(C)(CCC=C(C)C)C(O)(CC)CC.
What is the InChIKey of 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol?
The InChIKey is CPRMLWYHVQDAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-7-14(6,12-10-11-13(4)5)15(16,8-2)9-3/h7,11,16H,1,8-10,12H2,2-6H3.
What are the key properties of 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol?
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol has a molecular weight of 224.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol is sourced from PubChem (CID 10966171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).