1-(1-chloro-2-methylpropyl)-3-methylcyclohexane

C11H21Cl — CID 79298659

IUPAC1-(1-chloro-2-methylpropyl)-3-methylcyclohexane
SMILESCC1CCCC(C(Cl)C(C)C)C1
InChIInChI=1S/C11H21Cl/c1-8(2)11(12)10-6-4-5-9(3)7-10/h8-11H,4-7H2,1-3H3
InChIKeyGETIIIQCOITCPD-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.08
Rot. Bonds2

About 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane

1-(1-chloro-2-methylpropyl)-3-methylcyclohexane (PubChem CID 79298659) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(1-chloro-2-methylpropyl)-3-methylcyclohexane
PubChem CID79298659
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-(1-chloro-2-methylpropyl)-3-methylcyclohexane
SMILESCC1CCCC(C(Cl)C(C)C)C1
InChIInChI=1S/C11H21Cl/c1-8(2)11(12)10-6-4-5-9(3)7-10/h8-11H,4-7H2,1-3H3
InChIKeyGETIIIQCOITCPD-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
1-methyl-3-(3-methylbut-3-en-2-yl)cyclohexane
CID 139213261
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
(1R)-1,3-dimethylcyclohexane
CID 12594306
N-ethyl-2,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 104992228
2-(3-methylcyclohexyl)pentan-3-ol
CID 79436238
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
(3-methylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65422554
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane?
The IUPAC name of 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane (CID 79298659) is 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane.
What is the SMILES notation for 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane?
The canonical SMILES for 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane is CC1CCCC(C(Cl)C(C)C)C1.
What is the InChIKey of 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane?
The InChIKey is GETIIIQCOITCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-8(2)11(12)10-6-4-5-9(3)7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane?
1-(1-chloro-2-methylpropyl)-3-methylcyclohexane has a molecular weight of 188.74 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylpropyl)-3-methylcyclohexane is sourced from PubChem (CID 79298659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).