(E)-1-chloro-4,4-dimethylpent-1-ene

C7H13Cl — CID 147984913

IUPAC(E)-1-chloro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)C/C=C/Cl
InChIInChI=1S/C7H13Cl/c1-7(2,3)5-4-6-8/h4,6H,5H2,1-3H3/b6-4+
InChIKeyITYJWVMOZLDSKD-GQCTYLIASA-N
MW132.63 g/mol
LogP3.18
Rot. Bonds1

About (E)-1-chloro-4,4-dimethylpent-1-ene

(E)-1-chloro-4,4-dimethylpent-1-ene (PubChem CID 147984913) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is (E)-1-chloro-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-4,4-dimethylpent-1-ene
PubChem CID147984913
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name(E)-1-chloro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)C/C=C/Cl
InChIInChI=1S/C7H13Cl/c1-7(2,3)5-4-6-8/h4,6H,5H2,1-3H3/b6-4+
InChIKeyITYJWVMOZLDSKD-GQCTYLIASA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-4,4-dimethylpent-1-ene?
The IUPAC name of (E)-1-chloro-4,4-dimethylpent-1-ene (CID 147984913) is (E)-1-chloro-4,4-dimethylpent-1-ene.
What is the SMILES notation for (E)-1-chloro-4,4-dimethylpent-1-ene?
The canonical SMILES for (E)-1-chloro-4,4-dimethylpent-1-ene is CC(C)(C)C/C=C/Cl.
What is the InChIKey of (E)-1-chloro-4,4-dimethylpent-1-ene?
The InChIKey is ITYJWVMOZLDSKD-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13Cl/c1-7(2,3)5-4-6-8/h4,6H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-1-chloro-4,4-dimethylpent-1-ene?
(E)-1-chloro-4,4-dimethylpent-1-ene has a molecular weight of 132.63 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-4,4-dimethylpent-1-ene is sourced from PubChem (CID 147984913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).