1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane

C11H21Cl — CID 140846235

IUPAC1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(Cl)CC1C
InChIInChI=1S/C11H21Cl/c1-8(2)10-5-6-11(4,12)7-9(10)3/h8-10H,5-7H2,1-4H3
InChIKeyKYYMJVBGRJSZRX-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.08
Rot. Bonds1

About 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane

1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane (PubChem CID 140846235) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane
PubChem CID140846235
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(Cl)CC1C
InChIInChI=1S/C11H21Cl/c1-8(2)10-5-6-11(4,12)7-9(10)3/h8-10H,5-7H2,1-4H3
InChIKeyKYYMJVBGRJSZRX-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.08
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-ethyl-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 158729165
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
(1R)-1,3,4-trichloro-1-methylcyclohexane
CID 174855385
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
N-(5-hydroxypentyl)formamide;1,1,3-trimethyl-4-propan-2-ylcyclohexane
CID 145159350
5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22117962
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane (CID 140846235) is 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane is CC(C)C1CCC(C)(Cl)CC1C.
What is the InChIKey of 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane?
The InChIKey is KYYMJVBGRJSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-8(2)10-5-6-11(4,12)7-9(10)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane?
1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane has a molecular weight of 188.74 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 140846235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).