3-(chloromethyl)-2,4-dimethylpent-1-ene

C8H15Cl — CID 169183451

IUPAC3-(chloromethyl)-2,4-dimethylpent-1-ene
SMILESC=C(C)C(CCl)C(C)C
InChIInChI=1S/C8H15Cl/c1-6(2)8(5-9)7(3)4/h7-8H,1,5H2,2-4H3
InChIKeyAKSJLNOUDRSHJD-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.07
Rot. Bonds3

About 3-(chloromethyl)-2,4-dimethylpent-1-ene

3-(chloromethyl)-2,4-dimethylpent-1-ene (PubChem CID 169183451) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 3-(chloromethyl)-2,4-dimethylpent-1-ene.

Molecular Properties

Compound Name3-(chloromethyl)-2,4-dimethylpent-1-ene
PubChem CID169183451
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name3-(chloromethyl)-2,4-dimethylpent-1-ene
SMILESC=C(C)C(CCl)C(C)C
InChIInChI=1S/C8H15Cl/c1-6(2)8(5-9)7(3)4/h7-8H,1,5H2,2-4H3
InChIKeyAKSJLNOUDRSHJD-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.07
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'}

Analyze 3-(chloromethyl)-2,4-dimethylpent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-4-propan-2-ylhex-5-en-2-imine
CID 174356407
(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
CID 102247681
3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
CID 123194726
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
3,4-diethyl-2,6-dimethylhept-1-ene
CID 123692241
ethane;3-ethyl-4-methylpent-1-en-2-amine
CID 143289250
2,3,6-trimethyl-4-prop-1-en-2-ylhepta-1,6-diene
CID 91102055
2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene
CID 123699260
3-(chloromethyl)-4-ethoxy-2-methylbut-1-ene
CID 55302256
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
3-ethyl-N,N,4-trimethylpent-1-en-2-amine
CID 139427146
(4-chloro-3-ethylpent-1-en-2-yl)silane
CID 173064754

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,4-dimethylpent-1-ene?
The IUPAC name of 3-(chloromethyl)-2,4-dimethylpent-1-ene (CID 169183451) is 3-(chloromethyl)-2,4-dimethylpent-1-ene.
What is the SMILES notation for 3-(chloromethyl)-2,4-dimethylpent-1-ene?
The canonical SMILES for 3-(chloromethyl)-2,4-dimethylpent-1-ene is C=C(C)C(CCl)C(C)C.
What is the InChIKey of 3-(chloromethyl)-2,4-dimethylpent-1-ene?
The InChIKey is AKSJLNOUDRSHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-6(2)8(5-9)7(3)4/h7-8H,1,5H2,2-4H3.
What are the key properties of 3-(chloromethyl)-2,4-dimethylpent-1-ene?
3-(chloromethyl)-2,4-dimethylpent-1-ene has a molecular weight of 146.66 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,4-dimethylpent-1-ene is sourced from PubChem (CID 169183451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).