3-ethylhex-5-en-2-ol

C8H16O — CID 57027945

IUPAC3-ethylhex-5-en-2-ol
SMILESC=CCC(CC)C(C)O
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7(3)9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyXWUPVKFEAVMZQS-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds4

About 3-ethylhex-5-en-2-ol

3-ethylhex-5-en-2-ol (PubChem CID 57027945) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-ethylhex-5-en-2-ol.

Molecular Properties

Compound Name3-ethylhex-5-en-2-ol
PubChem CID57027945
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-ethylhex-5-en-2-ol
SMILESC=CCC(CC)C(C)O
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7(3)9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyXWUPVKFEAVMZQS-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
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

5-Methyl-1-hexen-3-ol
CID 5314815
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
5-Methyl-1-hepten-4-ol
CID 145341
4-Methyl-6-hepten-3-ol
CID 547700
3-Methyloct-7-en-2-ol
CID 10351801
5-Methyl-2-hepten-4-ol
CID 54181019
(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974269
(3R,4S)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974271
3,5-Dimethyl-1,6-heptadien-4-ol
CID 537207
3-Methyl-6-hepten-1-ol
CID 543353
4-Methyl-5-hexen-2-ol
CID 543655
7-Octen-3-ol, 2,6-dimethyl-
CID 565253

Frequently Asked Questions

What is the IUPAC name of 3-ethylhex-5-en-2-ol?
The IUPAC name of 3-ethylhex-5-en-2-ol (CID 57027945) is 3-ethylhex-5-en-2-ol.
What is the SMILES notation for 3-ethylhex-5-en-2-ol?
The canonical SMILES for 3-ethylhex-5-en-2-ol is C=CCC(CC)C(C)O.
What is the InChIKey of 3-ethylhex-5-en-2-ol?
The InChIKey is XWUPVKFEAVMZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-8(5-2)7(3)9/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 3-ethylhex-5-en-2-ol?
3-ethylhex-5-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhex-5-en-2-ol is sourced from PubChem (CID 57027945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).