hept-6-ene-1,5-diol

C7H14O2 — CID 13479548

IUPAChept-6-ene-1,5-diol
SMILESC=CC(O)CCCCO
InChIInChI=1S/C7H14O2/c1-2-7(9)5-3-4-6-8/h2,7-9H,1,3-6H2
InChIKeyAHGGBVGIXJVIFT-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.70
Rot. Bonds5

About hept-6-ene-1,5-diol

hept-6-ene-1,5-diol (PubChem CID 13479548) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is hept-6-ene-1,5-diol.

Molecular Properties

Compound Namehept-6-ene-1,5-diol
PubChem CID13479548
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namehept-6-ene-1,5-diol
SMILESC=CC(O)CCCCO
InChIInChI=1S/C7H14O2/c1-2-7(9)5-3-4-6-8/h2,7-9H,1,3-6H2
InChIKeyAHGGBVGIXJVIFT-UHFFFAOYSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromohept-1-en-3-ol
CID 46179806
(3R)-dec-1-en-3-ol
CID 12619485
undec-1-en-3-ol
CID 3015762
undec-10-ene-2,9-diol
CID 174994390
heptadec-1-en-3-ol
CID 11858939
(2R)-2-ethenylhexane-1,6-diol
CID 130621473
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221
6-methoxyhex-1-en-3-ol
CID 105108568
non-1-ene-3,7-diol
CID 22245625
oct-1-en-3-ol;propanoic acid
CID 57351786
heptacosane-1,10,27-triol
CID 56980866

Frequently Asked Questions

What is the IUPAC name of hept-6-ene-1,5-diol?
The IUPAC name of hept-6-ene-1,5-diol (CID 13479548) is hept-6-ene-1,5-diol.
What is the SMILES notation for hept-6-ene-1,5-diol?
The canonical SMILES for hept-6-ene-1,5-diol is C=CC(O)CCCCO.
What is the InChIKey of hept-6-ene-1,5-diol?
The InChIKey is AHGGBVGIXJVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-7(9)5-3-4-6-8/h2,7-9H,1,3-6H2.
What are the key properties of hept-6-ene-1,5-diol?
hept-6-ene-1,5-diol has a molecular weight of 130.19 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-ene-1,5-diol is sourced from PubChem (CID 13479548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).