(E)-1-chloro-2,3,3-trimethylbut-1-ene

C7H13Cl — CID 167165936

IUPAC(E)-1-chloro-2,3,3-trimethylbut-1-ene
SMILESC/C(=C\Cl)C(C)(C)C
InChIInChI=1S/C7H13Cl/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5+
InChIKeyVAOROWAWRYCYIA-AATRIKPKSA-N
MW132.63 g/mol
LogP3.18
Rot. Bonds

About (E)-1-chloro-2,3,3-trimethylbut-1-ene

(E)-1-chloro-2,3,3-trimethylbut-1-ene (PubChem CID 167165936) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is (E)-1-chloro-2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-2,3,3-trimethylbut-1-ene
PubChem CID167165936
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name(E)-1-chloro-2,3,3-trimethylbut-1-ene
SMILESC/C(=C\Cl)C(C)(C)C
InChIInChI=1S/C7H13Cl/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5+
InChIKeyVAOROWAWRYCYIA-AATRIKPKSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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-2,3,3-trimethylbut-1-ene?
The IUPAC name of (E)-1-chloro-2,3,3-trimethylbut-1-ene (CID 167165936) is (E)-1-chloro-2,3,3-trimethylbut-1-ene.
What is the SMILES notation for (E)-1-chloro-2,3,3-trimethylbut-1-ene?
The canonical SMILES for (E)-1-chloro-2,3,3-trimethylbut-1-ene is C/C(=C\Cl)C(C)(C)C.
What is the InChIKey of (E)-1-chloro-2,3,3-trimethylbut-1-ene?
The InChIKey is VAOROWAWRYCYIA-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5+.
What are the key properties of (E)-1-chloro-2,3,3-trimethylbut-1-ene?
(E)-1-chloro-2,3,3-trimethylbut-1-ene has a molecular weight of 132.63 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 167165936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).