oct-7-en-3-ol

C8H16O — CID 11789231

IUPACoct-7-en-3-ol
SMILESC=CCCCC(O)CC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3,8-9H,1,4-7H2,2H3
InChIKeyTVNHCNIXIDWVRO-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.11
Rot. Bonds5

About oct-7-en-3-ol

oct-7-en-3-ol (PubChem CID 11789231) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is oct-7-en-3-ol.

Molecular Properties

Compound Nameoct-7-en-3-ol
PubChem CID11789231
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Nameoct-7-en-3-ol
SMILESC=CCCCC(O)CC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3,8-9H,1,4-7H2,2H3
InChIKeyTVNHCNIXIDWVRO-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 ≤ 500128.22
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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Related Compounds

1-Octen-3-Ol
CID 18827
1-Nonen-3-ol
CID 89560
1-Hepten-3-OL
CID 21057
1-Decen-3-ol
CID 170977
(R)-oct-1-en-3-ol
CID 6992244
1-Hepten-4-ol
CID 19040
1-Undecen-3-ol
CID 3015762
(S)-1-Octen-3-ol
CID 2724898
7-Octen-2-ol
CID 542172
7-Octen-4-OL
CID 40923
1-Nonen-4-ol
CID 141975
1-Octen-4-ol
CID 142471

Frequently Asked Questions

What is the IUPAC name of oct-7-en-3-ol?
The IUPAC name of oct-7-en-3-ol (CID 11789231) is oct-7-en-3-ol.
What is the SMILES notation for oct-7-en-3-ol?
The canonical SMILES for oct-7-en-3-ol is C=CCCCC(O)CC.
What is the InChIKey of oct-7-en-3-ol?
The InChIKey is TVNHCNIXIDWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of oct-7-en-3-ol?
oct-7-en-3-ol has a molecular weight of 128.22 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-3-ol is sourced from PubChem (CID 11789231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).