(E)-1-chloro-3-methylbut-1-ene

C5H9Cl — CID 5365942

IUPAC(E)-1-chloro-3-methylbut-1-ene
SMILESCC(C)/C=C/Cl
InChIInChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+
InChIKeyMXVSJNLRVLKAOG-ONEGZZNKSA-N
MW104.58 g/mol
LogP2.39
Rot. Bonds1

About (E)-1-chloro-3-methylbut-1-ene

(E)-1-chloro-3-methylbut-1-ene (PubChem CID 5365942) has the molecular formula C5H9Cl and a molecular weight of 104.58 g/mol. Its IUPAC name is (E)-1-chloro-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-3-methylbut-1-ene
PubChem CID5365942
Molecular FormulaC5H9Cl
Molecular Weight104.58 g/mol
Exact Mass104.04
IUPAC Name(E)-1-chloro-3-methylbut-1-ene
SMILESCC(C)/C=C/Cl
InChIInChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+
InChIKeyMXVSJNLRVLKAOG-ONEGZZNKSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.58
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-3-methylbut-1-ene?
The IUPAC name of (E)-1-chloro-3-methylbut-1-ene (CID 5365942) is (E)-1-chloro-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-chloro-3-methylbut-1-ene?
The canonical SMILES for (E)-1-chloro-3-methylbut-1-ene is CC(C)/C=C/Cl.
What is the InChIKey of (E)-1-chloro-3-methylbut-1-ene?
The InChIKey is MXVSJNLRVLKAOG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+.
What are the key properties of (E)-1-chloro-3-methylbut-1-ene?
(E)-1-chloro-3-methylbut-1-ene has a molecular weight of 104.58 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-3-methylbut-1-ene is sourced from PubChem (CID 5365942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).