8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol

C32H58O — CID 123778874

IUPAC8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol
SMILESCCCC=CCCC(CCC=CCCC)CC(O)C(CCC=CCCC)CCC=CCCC
InChIInChI=1S/C32H58O/c1-5-9-13-17-21-25-30(26-22-18-14-10-6-2)29-32(33)31(27-23-19-15-11-7-3)28-24-20-16-12-8-4/h13-20,30-33H,5-12,21-29H2,1-4H3
InChIKeyLFODHASBZHURMX-UHFFFAOYSA-N
MW458.82 g/mol
LogP10.52
Rot. Bonds23

About 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol

8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol (PubChem CID 123778874) has the molecular formula C32H58O and a molecular weight of 458.82 g/mol. Its IUPAC name is 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol.

Molecular Properties

Compound Name8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol
PubChem CID123778874
Molecular FormulaC32H58O
Molecular Weight458.82 g/mol
Exact Mass458.45
IUPAC Name8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol
SMILESCCCC=CCCC(CCC=CCCC)CC(O)C(CCC=CCCC)CCC=CCCC
InChIInChI=1S/C32H58O/c1-5-9-13-17-21-25-30(26-22-18-14-10-6-2)29-32(33)31(27-23-19-15-11-7-3)28-24-20-16-12-8-4/h13-20,30-33H,5-12,21-29H2,1-4H3
InChIKeyLFODHASBZHURMX-UHFFFAOYSA-N
XLogP10.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.82
LogP ≤ 510.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,8-dipropylundecane-5,7-diol
CID 157462430
tetrakis(hept-3-enyl)phosphanium
CID 154264399
deca-1,6-dien-3-ol
CID 56622854
(E)-1-aminonon-5-en-2-ol
CID 101275257
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
dodec-8-ene-1,1-diol
CID 90860381
(Z)-hexadec-4-ene-7,8-diol
CID 118508493
(2S,3R)-2-aminooctadec-14-en-3-ol
CID 171149144
(E,2S,3R)-3-methylnon-5-en-2-ol
CID 122413916
3-methylnon-5-en-2-ol
CID 91526423

Frequently Asked Questions

What is the IUPAC name of 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol?
The IUPAC name of 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol (CID 123778874) is 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol.
What is the SMILES notation for 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol?
The canonical SMILES for 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol is CCCC=CCCC(CCC=CCCC)CC(O)C(CCC=CCCC)CCC=CCCC.
What is the InChIKey of 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol?
The InChIKey is LFODHASBZHURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O/c1-5-9-13-17-21-25-30(26-22-18-14-10-6-2)29-32(33)31(27-23-19-15-11-7-3)28-24-20-16-12-8-4/h13-20,30-33H,5-12,21-29H2,1-4H3.
What are the key properties of 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol?
8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol has a molecular weight of 458.82 g/mol, XLogP of 10.52, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-bis(hept-3-enyl)octadeca-4,14-dien-9-ol is sourced from PubChem (CID 123778874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).