4-propyloct-7-ene-3,4-diol

C11H22O2 — CID 57028437

IUPAC4-propyloct-7-ene-3,4-diol
SMILESC=CCCC(O)(CCC)C(O)CC
InChIInChI=1S/C11H22O2/c1-4-7-9-11(13,8-5-2)10(12)6-3/h4,10,12-13H,1,5-9H2,2-3H3
InChIKeyAOLSLXCWWZPEPR-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.25
Rot. Bonds7

About 4-propyloct-7-ene-3,4-diol

4-propyloct-7-ene-3,4-diol (PubChem CID 57028437) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-propyloct-7-ene-3,4-diol.

Molecular Properties

Compound Name4-propyloct-7-ene-3,4-diol
PubChem CID57028437
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-propyloct-7-ene-3,4-diol
SMILESC=CCCC(O)(CCC)C(O)CC
InChIInChI=1S/C11H22O2/c1-4-7-9-11(13,8-5-2)10(12)6-3/h4,10,12-13H,1,5-9H2,2-3H3
InChIKeyAOLSLXCWWZPEPR-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propyloct-7-ene-3,4-diol?
The IUPAC name of 4-propyloct-7-ene-3,4-diol (CID 57028437) is 4-propyloct-7-ene-3,4-diol.
What is the SMILES notation for 4-propyloct-7-ene-3,4-diol?
The canonical SMILES for 4-propyloct-7-ene-3,4-diol is C=CCCC(O)(CCC)C(O)CC.
What is the InChIKey of 4-propyloct-7-ene-3,4-diol?
The InChIKey is AOLSLXCWWZPEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-7-9-11(13,8-5-2)10(12)6-3/h4,10,12-13H,1,5-9H2,2-3H3.
What are the key properties of 4-propyloct-7-ene-3,4-diol?
4-propyloct-7-ene-3,4-diol has a molecular weight of 186.29 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyloct-7-ene-3,4-diol is sourced from PubChem (CID 57028437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).