3-(chloromethyl)-3,5-dimethylhex-1-ene

C9H17Cl — CID 102642065

IUPAC3-(chloromethyl)-3,5-dimethylhex-1-ene
SMILESC=CC(C)(CCl)CC(C)C
InChIInChI=1S/C9H17Cl/c1-5-9(4,7-10)6-8(2)3/h5,8H,1,6-7H2,2-4H3
InChIKeyGXXZWOOFBFCXSI-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.46
Rot. Bonds4

About 3-(chloromethyl)-3,5-dimethylhex-1-ene

3-(chloromethyl)-3,5-dimethylhex-1-ene (PubChem CID 102642065) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 3-(chloromethyl)-3,5-dimethylhex-1-ene.

Molecular Properties

Compound Name3-(chloromethyl)-3,5-dimethylhex-1-ene
PubChem CID102642065
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name3-(chloromethyl)-3,5-dimethylhex-1-ene
SMILESC=CC(C)(CCl)CC(C)C
InChIInChI=1S/C9H17Cl/c1-5-9(4,7-10)6-8(2)3/h5,8H,1,6-7H2,2-4H3
InChIKeyGXXZWOOFBFCXSI-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.46
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

2-ethenyl-2,4-dimethylpentan-1-amine
CID 102640269
3-(chloromethyl)-5-ethylsulfanyl-3-methylpent-1-ene
CID 102642075
N,3,5-trimethylhex-1-en-3-amine
CID 145461541
CID 22228898
CID 22228898
3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene
CID 102642086
[2-(chloromethyl)-2-methylbut-3-enoxy]-oxido-oxophosphanium
CID 172813445
N-(2,4,6-trimethylheptan-4-yl)methanimine
CID 142214459
N-(2,4-dimethylpentan-2-yl)methanimine
CID 146407592
4,4,6-trimethylhept-1-en-3-imine
CID 177141696
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methylbenzene
CID 102642000
2-[2-(chloromethyl)-2-methylbut-3-enyl]-5-ethylthiophene
CID 102642093
1-chloro-2,4,4,6-tetramethylheptane
CID 151512722

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3,5-dimethylhex-1-ene?
The IUPAC name of 3-(chloromethyl)-3,5-dimethylhex-1-ene (CID 102642065) is 3-(chloromethyl)-3,5-dimethylhex-1-ene.
What is the SMILES notation for 3-(chloromethyl)-3,5-dimethylhex-1-ene?
The canonical SMILES for 3-(chloromethyl)-3,5-dimethylhex-1-ene is C=CC(C)(CCl)CC(C)C.
What is the InChIKey of 3-(chloromethyl)-3,5-dimethylhex-1-ene?
The InChIKey is GXXZWOOFBFCXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-5-9(4,7-10)6-8(2)3/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 3-(chloromethyl)-3,5-dimethylhex-1-ene?
3-(chloromethyl)-3,5-dimethylhex-1-ene has a molecular weight of 160.69 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3,5-dimethylhex-1-ene is sourced from PubChem (CID 102642065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).