1-chlorotritriacont-2-ene

C33H65Cl — CID 173457844

IUPAC1-chlorotritriacont-2-ene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCl
InChIInChI=1S/C33H65Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h31-32H,2-30,33H2,1H3
InChIKeyISZFGYXXXPLFMZ-UHFFFAOYSA-N
MW497.34 g/mol
LogP13.11
Rot. Bonds30

About 1-chlorotritriacont-2-ene

1-chlorotritriacont-2-ene (PubChem CID 173457844) has the molecular formula C33H65Cl and a molecular weight of 497.34 g/mol. Its IUPAC name is 1-chlorotritriacont-2-ene.

Molecular Properties

Compound Name1-chlorotritriacont-2-ene
PubChem CID173457844
Molecular FormulaC33H65Cl
Molecular Weight497.34 g/mol
Exact Mass496.48
IUPAC Name1-chlorotritriacont-2-ene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCl
InChIInChI=1S/C33H65Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h31-32H,2-30,33H2,1H3
InChIKeyISZFGYXXXPLFMZ-UHFFFAOYSA-N
XLogP13.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.34
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of 1-chlorotritriacont-2-ene?
The IUPAC name of 1-chlorotritriacont-2-ene (CID 173457844) is 1-chlorotritriacont-2-ene.
What is the SMILES notation for 1-chlorotritriacont-2-ene?
The canonical SMILES for 1-chlorotritriacont-2-ene is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCl.
What is the InChIKey of 1-chlorotritriacont-2-ene?
The InChIKey is ISZFGYXXXPLFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h31-32H,2-30,33H2,1H3.
What are the key properties of 1-chlorotritriacont-2-ene?
1-chlorotritriacont-2-ene has a molecular weight of 497.34 g/mol, XLogP of 13.11, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotritriacont-2-ene is sourced from PubChem (CID 173457844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).