2,5-dimethylhex-4-ene-1,2-diol

C8H16O2 — CID 85381392

IUPAC2,5-dimethylhex-4-ene-1,2-diol
SMILESCC(C)=CCC(C)(O)CO
InChIInChI=1S/C8H16O2/c1-7(2)4-5-8(3,10)6-9/h4,9-10H,5-6H2,1-3H3
InChIKeyMLEPYOFDSKERRW-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds3

About 2,5-dimethylhex-4-ene-1,2-diol

2,5-dimethylhex-4-ene-1,2-diol (PubChem CID 85381392) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,5-dimethylhex-4-ene-1,2-diol.

Molecular Properties

Compound Name2,5-dimethylhex-4-ene-1,2-diol
PubChem CID85381392
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,5-dimethylhex-4-ene-1,2-diol
SMILESCC(C)=CCC(C)(O)CO
InChIInChI=1S/C8H16O2/c1-7(2)4-5-8(3,10)6-9/h4,9-10H,5-6H2,1-3H3
InChIKeyMLEPYOFDSKERRW-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.09
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

3,7-Dimethyl-3-octene-1,2,6,7-tetrol
CID 15885840
(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol
CID 89802642
2-(Y(E)-propenyl)-octa-4(E),6(Z)-diene-1,2diol
CID 10511649
(3S,5E)-2,6-Dimethyl-5,7-octadiene-2,3-diol
CID 15885839
(E,2R,6R)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
CID 15885841
(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
CID 15885844
(3R,4S)-3,7-Dimethyl-1,6-octadiene-3,4-diol
CID 15895321
2-Prop-1-enylocta-4,6-diene-1,2-diol
CID 85166811
(3R,4R)-3,7-dimethylocta-1,6-diene-3,4-diol
CID 134969158
Aspergone I
CID 156581216
(2R)-2-ethenyl-6-methylhept-5-ene-1,2-diol
CID 162867038
(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol
CID 162903139

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-4-ene-1,2-diol?
The IUPAC name of 2,5-dimethylhex-4-ene-1,2-diol (CID 85381392) is 2,5-dimethylhex-4-ene-1,2-diol.
What is the SMILES notation for 2,5-dimethylhex-4-ene-1,2-diol?
The canonical SMILES for 2,5-dimethylhex-4-ene-1,2-diol is CC(C)=CCC(C)(O)CO.
What is the InChIKey of 2,5-dimethylhex-4-ene-1,2-diol?
The InChIKey is MLEPYOFDSKERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)4-5-8(3,10)6-9/h4,9-10H,5-6H2,1-3H3.
What are the key properties of 2,5-dimethylhex-4-ene-1,2-diol?
2,5-dimethylhex-4-ene-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-4-ene-1,2-diol is sourced from PubChem (CID 85381392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).