1-ethoxytetratriacont-25-en-17-ol

C36H72O2 — CID 123371812

IUPAC1-ethoxytetratriacont-25-en-17-ol
SMILESCCCCCCCCC=CCCCCCCCC(O)CCCCCCCCCCCCCCCCOCC
InChIInChI=1S/C36H72O2/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36(37)34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35-38-4-2/h11-12,36-37H,3-10,13-35H2,1-2H3
InChIKeyFVPGIABVUVYUNO-UHFFFAOYSA-N
MW536.97 g/mol
LogP12.27
Rot. Bonds33

About 1-ethoxytetratriacont-25-en-17-ol

1-ethoxytetratriacont-25-en-17-ol (PubChem CID 123371812) has the molecular formula C36H72O2 and a molecular weight of 536.97 g/mol. Its IUPAC name is 1-ethoxytetratriacont-25-en-17-ol.

Molecular Properties

Compound Name1-ethoxytetratriacont-25-en-17-ol
PubChem CID123371812
Molecular FormulaC36H72O2
Molecular Weight536.97 g/mol
Exact Mass536.55
IUPAC Name1-ethoxytetratriacont-25-en-17-ol
SMILESCCCCCCCCC=CCCCCCCCC(O)CCCCCCCCCCCCCCCCOCC
InChIInChI=1S/C36H72O2/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36(37)34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35-38-4-2/h11-12,36-37H,3-10,13-35H2,1-2H3
InChIKeyFVPGIABVUVYUNO-UHFFFAOYSA-N
XLogP12.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.97
LogP ≤ 512.27
H-Bond Donors ≤ 51
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)-1-ethoxynonadec-9-ene
CID 87517612
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CID 91170991
octacos-21-en-10-ol
CID 163011476
(Z,3R)-1-butoxytetradec-7-en-3-ol
CID 164718486
(2R)-1-octadeca-9,12-dienoxyundecan-2-ol
CID 123987134
(Z)-tetracos-6-en-10-ol
CID 168947717
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
(Z)-13-ethoxytridec-5-ene
CID 87205027
(E)-hentetracont-36-en-5-ol
CID 87492179
henicosa-6,15-dien-10-ol
CID 141379717
(Z)-1-[(Z)-octadec-9-enoxy]octadec-9-ene;bis(propane-1,2,3-triol)
CID 87482506

Frequently Asked Questions

What is the IUPAC name of 1-ethoxytetratriacont-25-en-17-ol?
The IUPAC name of 1-ethoxytetratriacont-25-en-17-ol (CID 123371812) is 1-ethoxytetratriacont-25-en-17-ol.
What is the SMILES notation for 1-ethoxytetratriacont-25-en-17-ol?
The canonical SMILES for 1-ethoxytetratriacont-25-en-17-ol is CCCCCCCCC=CCCCCCCCC(O)CCCCCCCCCCCCCCCCOCC.
What is the InChIKey of 1-ethoxytetratriacont-25-en-17-ol?
The InChIKey is FVPGIABVUVYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O2/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36(37)34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35-38-4-2/h11-12,36-37H,3-10,13-35H2,1-2H3.
What are the key properties of 1-ethoxytetratriacont-25-en-17-ol?
1-ethoxytetratriacont-25-en-17-ol has a molecular weight of 536.97 g/mol, XLogP of 12.27, 33 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxytetratriacont-25-en-17-ol is sourced from PubChem (CID 123371812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).