4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol

C10H18O2 — CID 14413713

IUPAC4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
SMILESC=CC(C(=C)C)C(O)C(C)(C)O
InChIInChI=1S/C10H18O2/c1-6-8(7(2)3)9(11)10(4,5)12/h6,8-9,11-12H,1-2H2,3-5H3
InChIKeyLIAJPRXDHOZJHW-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.50
Rot. Bonds4

About 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol

4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol (PubChem CID 14413713) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol.

Molecular Properties

Compound Name4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
PubChem CID14413713
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
SMILESC=CC(C(=C)C)C(O)C(C)(C)O
InChIInChI=1S/C10H18O2/c1-6-8(7(2)3)9(11)10(4,5)12/h6,8-9,11-12H,1-2H2,3-5H3
InChIKeyLIAJPRXDHOZJHW-UHFFFAOYSA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-2,5-dimethyl-3-vinyl-hex-5-ene-2,4-diol
CID 5273756
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
5-Methyl-1-hepten-4-ol
CID 145341
(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
CID 11240729
2-Methyl-6-methylene-7-octene-2,3-diol
CID 14733972
(3S,4R)-3-ethenyl-4-hydroperoxy-2,5-dimethylhex-5-en-2-ol
CID 10058252
Armillariol A
CID 72697109
(3S,4S)-3-ethenyl-4-hydroperoxy-2,5-dimethylhex-5-en-2-ol
CID 101663663
(3R,4S)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860351
(3S,4R)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860352
(3R,4R)-3-ethenyl-2,5-dimethylhex-5-ene-2,4-diol
CID 162908416
(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
CID 162946531

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol?
The IUPAC name of 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol (CID 14413713) is 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol.
What is the SMILES notation for 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol?
The canonical SMILES for 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol is C=CC(C(=C)C)C(O)C(C)(C)O.
What is the InChIKey of 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol?
The InChIKey is LIAJPRXDHOZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-8(7(2)3)9(11)10(4,5)12/h6,8-9,11-12H,1-2H2,3-5H3.
What are the key properties of 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol?
4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol has a molecular weight of 170.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol is sourced from PubChem (CID 14413713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).