3-ethenylhex-5-ene-1,1-diol

C8H14O2 — CID 144851586

IUPAC3-ethenylhex-5-ene-1,1-diol
SMILESC=CCC(C=C)CC(O)O
InChIInChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h3-4,7-10H,1-2,5-6H2
InChIKeyBTMURUXMIFCIOS-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.07
Rot. Bonds5

About 3-ethenylhex-5-ene-1,1-diol

3-ethenylhex-5-ene-1,1-diol (PubChem CID 144851586) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethenylhex-5-ene-1,1-diol.

Molecular Properties

Compound Name3-ethenylhex-5-ene-1,1-diol
PubChem CID144851586
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethenylhex-5-ene-1,1-diol
SMILESC=CCC(C=C)CC(O)O
InChIInChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h3-4,7-10H,1-2,5-6H2
InChIKeyBTMURUXMIFCIOS-UHFFFAOYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-3-ethylocta-1,7-diene
CID 150052452
hexa-1,5-dien-3-ol;hydrochloride
CID 174661515
2-(2-ethenylpent-4-enyl)oxirane
CID 173438143
2,6-dimethyl-4-prop-2-enylhepta-1,5-diene
CID 23173905
(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
azane;pent-4-en-2-ol
CID 22149561
(3R,5R)-hepta-1,6-diene-3,5-diol
CID 11480453
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
1,1-dichloro-2-(2-ethenylpent-4-enyl)cyclopropane
CID 173322830
18-hydroxy-2-prop-2-enyloctadecanal
CID 173140058
1,2-difluoropent-4-en-1-ol
CID 23129819
(3S)-hex-5-en-3-ol
CID 10749148

Frequently Asked Questions

What is the IUPAC name of 3-ethenylhex-5-ene-1,1-diol?
The IUPAC name of 3-ethenylhex-5-ene-1,1-diol (CID 144851586) is 3-ethenylhex-5-ene-1,1-diol.
What is the SMILES notation for 3-ethenylhex-5-ene-1,1-diol?
The canonical SMILES for 3-ethenylhex-5-ene-1,1-diol is C=CCC(C=C)CC(O)O.
What is the InChIKey of 3-ethenylhex-5-ene-1,1-diol?
The InChIKey is BTMURUXMIFCIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 3-ethenylhex-5-ene-1,1-diol?
3-ethenylhex-5-ene-1,1-diol has a molecular weight of 142.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylhex-5-ene-1,1-diol is sourced from PubChem (CID 144851586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).