(Z)-1-iodooctadec-9-ene

C18H35I — CID 10894154

IUPAC(Z)-1-iodooctadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCI
InChIInChI=1S/C18H35I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKeyTVDRYRJRVCTYOL-KTKRTIGZSA-N
MW378.38 g/mol
LogP7.46
Rot. Bonds15

About (Z)-1-iodooctadec-9-ene

(Z)-1-iodooctadec-9-ene (PubChem CID 10894154) has the molecular formula C18H35I and a molecular weight of 378.38 g/mol. Its IUPAC name is (Z)-1-iodooctadec-9-ene.

Molecular Properties

Compound Name(Z)-1-iodooctadec-9-ene
PubChem CID10894154
Molecular FormulaC18H35I
Molecular Weight378.38 g/mol
Exact Mass378.18
IUPAC Name(Z)-1-iodooctadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCI
InChIInChI=1S/C18H35I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-
InChIKeyTVDRYRJRVCTYOL-KTKRTIGZSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 57.46
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-iodooctadec-9-ene?
The IUPAC name of (Z)-1-iodooctadec-9-ene (CID 10894154) is (Z)-1-iodooctadec-9-ene.
What is the SMILES notation for (Z)-1-iodooctadec-9-ene?
The canonical SMILES for (Z)-1-iodooctadec-9-ene is CCCCCCCC/C=C\CCCCCCCCI.
What is the InChIKey of (Z)-1-iodooctadec-9-ene?
The InChIKey is TVDRYRJRVCTYOL-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H35I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-.
What are the key properties of (Z)-1-iodooctadec-9-ene?
(Z)-1-iodooctadec-9-ene has a molecular weight of 378.38 g/mol, XLogP of 7.46, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iodooctadec-9-ene is sourced from PubChem (CID 10894154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).