1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane

C12H23Cl — CID 131054150

IUPAC1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane
SMILESCC(C)C(C)C1(CCl)CCCCC1
InChIInChI=1S/C12H23Cl/c1-10(2)11(3)12(9-13)7-5-4-6-8-12/h10-11H,4-9H2,1-3H3
InChIKeyHIBGXNDUZGWWPG-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.47
Rot. Bonds3

About 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane

1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane (PubChem CID 131054150) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane
PubChem CID131054150
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane
SMILESCC(C)C(C)C1(CCl)CCCCC1
InChIInChI=1S/C12H23Cl/c1-10(2)11(3)12(9-13)7-5-4-6-8-12/h10-11H,4-9H2,1-3H3
InChIKeyHIBGXNDUZGWWPG-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.47
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

1-(chloromethyl)-1-(4-methoxybutan-2-yl)cyclopentane
CID 116500273
tert-butyl 2-[1-(chloromethyl)cyclohexyl]propanoate
CID 102439765
1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine
CID 65024608
1-(3-methylbutan-2-yl)cycloheptan-1-amine
CID 130632001
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
1-(methoxymethyl)-1-propan-2-ylcyclohexane
CID 70370924
1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol
CID 23168890
1-(1-ethylcyclohexyl)-N-methylethanamine
CID 142438459
1-(chloromethyl)-1-(2,3,3-trimethylbutyl)cyclopropane
CID 165443278
1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
CID 66034231
N-[(1-propan-2-ylcyclohexyl)methyl]methanimine
CID 167558868
2-(1-propan-2-ylcyclohexyl)acetaldehyde
CID 57205409

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane?
The IUPAC name of 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane (CID 131054150) is 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane is CC(C)C(C)C1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane?
The InChIKey is HIBGXNDUZGWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-10(2)11(3)12(9-13)7-5-4-6-8-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane?
1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane has a molecular weight of 202.77 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(3-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 131054150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).