oct-7-en-2-ol

C8H16O — CID 542172

IUPACoct-7-en-2-ol
SMILESC=CCCCCC(C)O
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3
InChIKeyHSHUHVOEMVTVRS-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.11
Rot. Bonds5

About oct-7-en-2-ol

oct-7-en-2-ol (PubChem CID 542172) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is oct-7-en-2-ol.

Molecular Properties

Compound Nameoct-7-en-2-ol
PubChem CID542172
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameoct-7-en-2-ol
SMILESC=CCCCCC(C)O
InChIInChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3
InChIKeyHSHUHVOEMVTVRS-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oct-7-en-2-ol?
The IUPAC name of oct-7-en-2-ol (CID 542172) is oct-7-en-2-ol.
What is the SMILES notation for oct-7-en-2-ol?
The canonical SMILES for oct-7-en-2-ol is C=CCCCCC(C)O.
What is the InChIKey of oct-7-en-2-ol?
The InChIKey is HSHUHVOEMVTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of oct-7-en-2-ol?
oct-7-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-en-2-ol is sourced from PubChem (CID 542172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).