2-chloro-4-(chloromethyl)-4-methylhept-1-ene

C9H16Cl2 — CID 165443138

IUPAC2-chloro-4-(chloromethyl)-4-methylhept-1-ene
SMILESC=C(Cl)CC(C)(CCl)CCC
InChIInChI=1S/C9H16Cl2/c1-4-5-9(3,7-10)6-8(2)11/h2,4-7H2,1,3H3
InChIKeySSLJACFXOUCKRL-UHFFFAOYSA-N
MW195.13 g/mol
LogP4.17
Rot. Bonds5

About 2-chloro-4-(chloromethyl)-4-methylhept-1-ene

2-chloro-4-(chloromethyl)-4-methylhept-1-ene (PubChem CID 165443138) has the molecular formula C9H16Cl2 and a molecular weight of 195.13 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-4-methylhept-1-ene.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-4-methylhept-1-ene
PubChem CID165443138
Molecular FormulaC9H16Cl2
Molecular Weight195.13 g/mol
Exact Mass194.06
IUPAC Name2-chloro-4-(chloromethyl)-4-methylhept-1-ene
SMILESC=C(Cl)CC(C)(CCl)CCC
InChIInChI=1S/C9H16Cl2/c1-4-5-9(3,7-10)6-8(2)11/h2,4-7H2,1,3H3
InChIKeySSLJACFXOUCKRL-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-chloro-4-methylhept-1-ene
CID 165443140
2-(chloromethyl)-2-methylpentan-1-ol
CID 55303877
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
4-(2-chloroethyl)-4-methylheptane
CID 174403008
2-methyl-2-propylpentane-1,5-diol
CID 18956838
potassium;3,3-dimethylhexanoyl chloride;hydroxide
CID 143631773
N-(3-ethyl-3-methylhexyl)methanimine
CID 174298399
2,4-dimethylhept-1-en-4-amine
CID 152808962
3-(chloromethyl)hex-1-en-3-ol
CID 55298140
[4-(chloromethyl)-4-methylheptyl]benzene
CID 66036487
4-methyl-4-propylhept-1-ene
CID 139926982
1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane
CID 87349470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-4-methylhept-1-ene?
The IUPAC name of 2-chloro-4-(chloromethyl)-4-methylhept-1-ene (CID 165443138) is 2-chloro-4-(chloromethyl)-4-methylhept-1-ene.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-4-methylhept-1-ene?
The canonical SMILES for 2-chloro-4-(chloromethyl)-4-methylhept-1-ene is C=C(Cl)CC(C)(CCl)CCC.
What is the InChIKey of 2-chloro-4-(chloromethyl)-4-methylhept-1-ene?
The InChIKey is SSLJACFXOUCKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2/c1-4-5-9(3,7-10)6-8(2)11/h2,4-7H2,1,3H3.
What are the key properties of 2-chloro-4-(chloromethyl)-4-methylhept-1-ene?
2-chloro-4-(chloromethyl)-4-methylhept-1-ene has a molecular weight of 195.13 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-4-methylhept-1-ene is sourced from PubChem (CID 165443138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).