(E)-1-chloro-3,4-dimethylpent-2-ene

C7H13Cl — CID 14510616

IUPAC(E)-1-chloro-3,4-dimethylpent-2-ene
SMILESC/C(=C\CCl)C(C)C
InChIInChI=1S/C7H13Cl/c1-6(2)7(3)4-5-8/h4,6H,5H2,1-3H3/b7-4+
InChIKeyNIJYMTBRRMWVOM-QPJJXVBHSA-N
MW132.63 g/mol
LogP2.83
Rot. Bonds2

About (E)-1-chloro-3,4-dimethylpent-2-ene

(E)-1-chloro-3,4-dimethylpent-2-ene (PubChem CID 14510616) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is (E)-1-chloro-3,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-3,4-dimethylpent-2-ene
PubChem CID14510616
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name(E)-1-chloro-3,4-dimethylpent-2-ene
SMILESC/C(=C\CCl)C(C)C
InChIInChI=1S/C7H13Cl/c1-6(2)7(3)4-5-8/h4,6H,5H2,1-3H3/b7-4+
InChIKeyNIJYMTBRRMWVOM-QPJJXVBHSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
(E)-N,N,3,4-tetramethylpent-2-en-1-amine
CID 59115911
(5E)-3,6,7-trimethylocta-2,5-diene
CID 91463486
4-chlorobut-2-en-2-yl(trimethyl)silane
CID 71434756
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
(E)-N,3,4-trimethyl-N-propan-2-ylpent-2-en-1-amine
CID 134511432
1-methoxy-4,5-dimethylhex-3-ene
CID 90948213
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
5-bromo-3,8-dichloro-2,6-dimethylocta-1,6-diene
CID 71371256
4-chloro-2-methylbut-2-en-1-ol
CID 71386874
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
6,7-dimethyloct-5-enoic acid
CID 162716838

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-3,4-dimethylpent-2-ene?
The IUPAC name of (E)-1-chloro-3,4-dimethylpent-2-ene (CID 14510616) is (E)-1-chloro-3,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-1-chloro-3,4-dimethylpent-2-ene?
The canonical SMILES for (E)-1-chloro-3,4-dimethylpent-2-ene is C/C(=C\CCl)C(C)C.
What is the InChIKey of (E)-1-chloro-3,4-dimethylpent-2-ene?
The InChIKey is NIJYMTBRRMWVOM-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6(2)7(3)4-5-8/h4,6H,5H2,1-3H3/b7-4+.
What are the key properties of (E)-1-chloro-3,4-dimethylpent-2-ene?
(E)-1-chloro-3,4-dimethylpent-2-ene has a molecular weight of 132.63 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-3,4-dimethylpent-2-ene is sourced from PubChem (CID 14510616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).