1-bromo-3-methyl-1-propan-2-ylcyclohexane

C10H19Br — CID 70545857

IUPAC1-bromo-3-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCCC(Br)(C(C)C)C1
InChIInChI=1S/C10H19Br/c1-8(2)10(11)6-4-5-9(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyLSDGOMVCEPPKMS-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds1

About 1-bromo-3-methyl-1-propan-2-ylcyclohexane

1-bromo-3-methyl-1-propan-2-ylcyclohexane (PubChem CID 70545857) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-bromo-3-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-bromo-3-methyl-1-propan-2-ylcyclohexane
PubChem CID70545857
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name1-bromo-3-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCCC(Br)(C(C)C)C1
InChIInChI=1S/C10H19Br/c1-8(2)10(11)6-4-5-9(3)7-10/h8-9H,4-7H2,1-3H3
InChIKeyLSDGOMVCEPPKMS-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.99
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

cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373
1,4-dimethyl-1-propan-2-ylcycloheptane
CID 123383887
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
1,1-diethyl-3-methylcyclohexane
CID 19090157
3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane
CID 67096024
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 1-bromo-3-methyl-1-propan-2-ylcyclohexane (CID 70545857) is 1-bromo-3-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-bromo-3-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-bromo-3-methyl-1-propan-2-ylcyclohexane is CC1CCCC(Br)(C(C)C)C1.
What is the InChIKey of 1-bromo-3-methyl-1-propan-2-ylcyclohexane?
The InChIKey is LSDGOMVCEPPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-8(2)10(11)6-4-5-9(3)7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-bromo-3-methyl-1-propan-2-ylcyclohexane?
1-bromo-3-methyl-1-propan-2-ylcyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 70545857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).