oct-2-en-3-ol

C8H16O — CID 71348348

IUPACoct-2-en-3-ol
SMILESCC=C(O)CCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,9H,3,5-7H2,1-2H3
InChIKeyUIRVMCAAPSEQTC-UHFFFAOYSA-N
MW128.21 g/mol
LogP3.03
Rot. Bonds4

About oct-2-en-3-ol

oct-2-en-3-ol (PubChem CID 71348348) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is oct-2-en-3-ol.

Molecular Properties

Compound Nameoct-2-en-3-ol
PubChem CID71348348
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameoct-2-en-3-ol
SMILESCC=C(O)CCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,9H,3,5-7H2,1-2H3
InChIKeyUIRVMCAAPSEQTC-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oct-2-en-3-ol?
The IUPAC name of oct-2-en-3-ol (CID 71348348) is oct-2-en-3-ol.
What is the SMILES notation for oct-2-en-3-ol?
The canonical SMILES for oct-2-en-3-ol is CC=C(O)CCCCC.
What is the InChIKey of oct-2-en-3-ol?
The InChIKey is UIRVMCAAPSEQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,9H,3,5-7H2,1-2H3.
What are the key properties of oct-2-en-3-ol?
oct-2-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-2-en-3-ol is sourced from PubChem (CID 71348348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).