3,4-bis(ethenyl)hexane-2,5-diol

C10H18O2 — CID 15148730

IUPAC3,4-bis(ethenyl)hexane-2,5-diol
SMILESC=CC(C(C)O)C(C=C)C(C)O
InChIInChI=1S/C10H18O2/c1-5-9(7(3)11)10(6-2)8(4)12/h5-12H,1-2H2,3-4H3
InChIKeyBMTSPMYEFRIYMQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.35
Rot. Bonds5

About 3,4-bis(ethenyl)hexane-2,5-diol

3,4-bis(ethenyl)hexane-2,5-diol (PubChem CID 15148730) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,4-bis(ethenyl)hexane-2,5-diol.

Molecular Properties

Compound Name3,4-bis(ethenyl)hexane-2,5-diol
PubChem CID15148730
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,4-bis(ethenyl)hexane-2,5-diol
SMILESC=CC(C(C)O)C(C=C)C(C)O
InChIInChI=1S/C10H18O2/c1-5-9(7(3)11)10(6-2)8(4)12/h5-12H,1-2H2,3-4H3
InChIKeyBMTSPMYEFRIYMQ-UHFFFAOYSA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.35
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
4-Methyl-6-hepten-3-ol
CID 547700
3-Methyloct-7-en-2-ol
CID 10351801
(3S,4R)-3-ethenyl-4-hydroperoxy-2,5-dimethylhex-5-en-2-ol
CID 10058252
(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)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
(3S,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944798

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)hexane-2,5-diol?
The IUPAC name of 3,4-bis(ethenyl)hexane-2,5-diol (CID 15148730) is 3,4-bis(ethenyl)hexane-2,5-diol.
What is the SMILES notation for 3,4-bis(ethenyl)hexane-2,5-diol?
The canonical SMILES for 3,4-bis(ethenyl)hexane-2,5-diol is C=CC(C(C)O)C(C=C)C(C)O.
What is the InChIKey of 3,4-bis(ethenyl)hexane-2,5-diol?
The InChIKey is BMTSPMYEFRIYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9(7(3)11)10(6-2)8(4)12/h5-12H,1-2H2,3-4H3.
What are the key properties of 3,4-bis(ethenyl)hexane-2,5-diol?
3,4-bis(ethenyl)hexane-2,5-diol has a molecular weight of 170.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)hexane-2,5-diol is sourced from PubChem (CID 15148730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).