(E)-1-iodopentadec-2-ene

C15H29I — CID 11099754

IUPAC(E)-1-iodopentadec-2-ene
SMILESCCCCCCCCCCCC/C=C/CI
InChIInChI=1S/C15H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h13-14H,2-12,15H2,1H3/b14-13+
InChIKeyLLLZUNVHAREQOL-BUHFOSPRSA-N
MW336.30 g/mol
LogP6.29
Rot. Bonds12

About (E)-1-iodopentadec-2-ene

(E)-1-iodopentadec-2-ene (PubChem CID 11099754) has the molecular formula C15H29I and a molecular weight of 336.30 g/mol. Its IUPAC name is (E)-1-iodopentadec-2-ene.

Molecular Properties

Compound Name(E)-1-iodopentadec-2-ene
PubChem CID11099754
Molecular FormulaC15H29I
Molecular Weight336.30 g/mol
Exact Mass336.13
IUPAC Name(E)-1-iodopentadec-2-ene
SMILESCCCCCCCCCCCC/C=C/CI
InChIInChI=1S/C15H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h13-14H,2-12,15H2,1H3/b14-13+
InChIKeyLLLZUNVHAREQOL-BUHFOSPRSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 56.29
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': 'iodine', '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 (E)-1-iodopentadec-2-ene?
The IUPAC name of (E)-1-iodopentadec-2-ene (CID 11099754) is (E)-1-iodopentadec-2-ene.
What is the SMILES notation for (E)-1-iodopentadec-2-ene?
The canonical SMILES for (E)-1-iodopentadec-2-ene is CCCCCCCCCCCC/C=C/CI.
What is the InChIKey of (E)-1-iodopentadec-2-ene?
The InChIKey is LLLZUNVHAREQOL-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h13-14H,2-12,15H2,1H3/b14-13+.
What are the key properties of (E)-1-iodopentadec-2-ene?
(E)-1-iodopentadec-2-ene has a molecular weight of 336.30 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodopentadec-2-ene is sourced from PubChem (CID 11099754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).