(Z)-3-iodo-2,2,5-trimethylhex-3-ene

C9H17I — CID 130380912

IUPAC(Z)-3-iodo-2,2,5-trimethylhex-3-ene
SMILESCC(C)/C=C(\I)C(C)(C)C
InChIInChI=1S/C9H17I/c1-7(2)6-8(10)9(3,4)5/h6-7H,1-5H3/b8-6-
InChIKeyMTRDNOUMNDZFKO-VURMDHGXSA-N
MW252.14 g/mol
LogP4.01
Rot. Bonds1

About (Z)-3-iodo-2,2,5-trimethylhex-3-ene

(Z)-3-iodo-2,2,5-trimethylhex-3-ene (PubChem CID 130380912) has the molecular formula C9H17I and a molecular weight of 252.14 g/mol. Its IUPAC name is (Z)-3-iodo-2,2,5-trimethylhex-3-ene.

Molecular Properties

Compound Name(Z)-3-iodo-2,2,5-trimethylhex-3-ene
PubChem CID130380912
Molecular FormulaC9H17I
Molecular Weight252.14 g/mol
Exact Mass252.04
IUPAC Name(Z)-3-iodo-2,2,5-trimethylhex-3-ene
SMILESCC(C)/C=C(\I)C(C)(C)C
InChIInChI=1S/C9H17I/c1-7(2)6-8(10)9(3,4)5/h6-7H,1-5H3/b8-6-
InChIKeyMTRDNOUMNDZFKO-VURMDHGXSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-2,2,5-trimethylhex-3-ene?
The IUPAC name of (Z)-3-iodo-2,2,5-trimethylhex-3-ene (CID 130380912) is (Z)-3-iodo-2,2,5-trimethylhex-3-ene.
What is the SMILES notation for (Z)-3-iodo-2,2,5-trimethylhex-3-ene?
The canonical SMILES for (Z)-3-iodo-2,2,5-trimethylhex-3-ene is CC(C)/C=C(\I)C(C)(C)C.
What is the InChIKey of (Z)-3-iodo-2,2,5-trimethylhex-3-ene?
The InChIKey is MTRDNOUMNDZFKO-VURMDHGXSA-N. The full InChI is InChI=1S/C9H17I/c1-7(2)6-8(10)9(3,4)5/h6-7H,1-5H3/b8-6-.
What are the key properties of (Z)-3-iodo-2,2,5-trimethylhex-3-ene?
(Z)-3-iodo-2,2,5-trimethylhex-3-ene has a molecular weight of 252.14 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-2,2,5-trimethylhex-3-ene is sourced from PubChem (CID 130380912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).