(E)-hentriacont-22-ene-2,4-diol

C31H62O2 — CID 101083869

IUPAC(E)-hentriacont-22-ene-2,4-diol
SMILESCCCCCCCC/C=C/CCCCCCCCCCCCCCCCCC(O)CC(C)O
InChIInChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11,30-33H,3-9,12-29H2,1-2H3/b11-10+
InChIKeyGJVLPPXMFPASDG-ZHACJKMWSA-N
MW466.84 g/mol
LogP10.06
Rot. Bonds27

About (E)-hentriacont-22-ene-2,4-diol

(E)-hentriacont-22-ene-2,4-diol (PubChem CID 101083869) has the molecular formula C31H62O2 and a molecular weight of 466.84 g/mol. Its IUPAC name is (E)-hentriacont-22-ene-2,4-diol.

Molecular Properties

Compound Name(E)-hentriacont-22-ene-2,4-diol
PubChem CID101083869
Molecular FormulaC31H62O2
Molecular Weight466.84 g/mol
Exact Mass466.47
IUPAC Name(E)-hentriacont-22-ene-2,4-diol
SMILESCCCCCCCC/C=C/CCCCCCCCCCCCCCCCCC(O)CC(C)O
InChIInChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11,30-33H,3-9,12-29H2,1-2H3/b11-10+
InChIKeyGJVLPPXMFPASDG-ZHACJKMWSA-N
XLogP10.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 510.06
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

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(Z)-henicos-12-en-2-ol
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(Z)-tetracos-6-en-10-ol
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(Z)-tridec-7-en-2-ol
CID 89138962
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CID 139720566
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
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(E)-hentetracont-36-en-5-ol
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Frequently Asked Questions

What is the IUPAC name of (E)-hentriacont-22-ene-2,4-diol?
The IUPAC name of (E)-hentriacont-22-ene-2,4-diol (CID 101083869) is (E)-hentriacont-22-ene-2,4-diol.
What is the SMILES notation for (E)-hentriacont-22-ene-2,4-diol?
The canonical SMILES for (E)-hentriacont-22-ene-2,4-diol is CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCC(O)CC(C)O.
What is the InChIKey of (E)-hentriacont-22-ene-2,4-diol?
The InChIKey is GJVLPPXMFPASDG-ZHACJKMWSA-N. The full InChI is InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31(33)29-30(2)32/h10-11,30-33H,3-9,12-29H2,1-2H3/b11-10+.
What are the key properties of (E)-hentriacont-22-ene-2,4-diol?
(E)-hentriacont-22-ene-2,4-diol has a molecular weight of 466.84 g/mol, XLogP of 10.06, 27 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hentriacont-22-ene-2,4-diol is sourced from PubChem (CID 101083869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).