(Z)-1,2-diiodooctadec-9-ene

C18H34I2 — CID 175474976

IUPAC(Z)-1,2-diiodooctadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCC(I)CI
InChIInChI=1S/C18H34I2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18H,2-8,11-17H2,1H3/b10-9-
InChIKeyRSXWUAGUQAKLIV-KTKRTIGZSA-N
MW504.28 g/mol
LogP7.87
Rot. Bonds15

About (Z)-1,2-diiodooctadec-9-ene

(Z)-1,2-diiodooctadec-9-ene (PubChem CID 175474976) has the molecular formula C18H34I2 and a molecular weight of 504.28 g/mol. Its IUPAC name is (Z)-1,2-diiodooctadec-9-ene.

Molecular Properties

Compound Name(Z)-1,2-diiodooctadec-9-ene
PubChem CID175474976
Molecular FormulaC18H34I2
Molecular Weight504.28 g/mol
Exact Mass504.07
IUPAC Name(Z)-1,2-diiodooctadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCC(I)CI
InChIInChI=1S/C18H34I2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18H,2-8,11-17H2,1H3/b10-9-
InChIKeyRSXWUAGUQAKLIV-KTKRTIGZSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.28
LogP ≤ 57.87
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

(2R)-1,2-diiodohexane
CID 118680674
6-iodododecane
CID 19090932
magnesium;hydride;(Z)-octadec-9-ene
CID 173078644
7-iodotetradecane
CID 87229248
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
nonacos-6-ene
CID 25200821
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-diiodooctadec-9-ene?
The IUPAC name of (Z)-1,2-diiodooctadec-9-ene (CID 175474976) is (Z)-1,2-diiodooctadec-9-ene.
What is the SMILES notation for (Z)-1,2-diiodooctadec-9-ene?
The canonical SMILES for (Z)-1,2-diiodooctadec-9-ene is CCCCCCCC/C=C\CCCCCCC(I)CI.
What is the InChIKey of (Z)-1,2-diiodooctadec-9-ene?
The InChIKey is RSXWUAGUQAKLIV-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H34I2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18H,2-8,11-17H2,1H3/b10-9-.
What are the key properties of (Z)-1,2-diiodooctadec-9-ene?
(Z)-1,2-diiodooctadec-9-ene has a molecular weight of 504.28 g/mol, XLogP of 7.87, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-diiodooctadec-9-ene is sourced from PubChem (CID 175474976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).