1-(1-bromopropyl)-3-methylcyclohexane

C10H19Br — CID 79308612

IUPAC1-(1-bromopropyl)-3-methylcyclohexane
SMILESCCC(Br)C1CCCC(C)C1
InChIInChI=1S/C10H19Br/c1-3-10(11)9-6-4-5-8(2)7-9/h8-10H,3-7H2,1-2H3
InChIKeyMFPNIVWKXDOSGW-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds2

About 1-(1-bromopropyl)-3-methylcyclohexane

1-(1-bromopropyl)-3-methylcyclohexane (PubChem CID 79308612) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-(1-bromopropyl)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(1-bromopropyl)-3-methylcyclohexane
PubChem CID79308612
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name1-(1-bromopropyl)-3-methylcyclohexane
SMILESCCC(Br)C1CCCC(C)C1
InChIInChI=1S/C10H19Br/c1-3-10(11)9-6-4-5-8(2)7-9/h8-10H,3-7H2,1-2H3
InChIKeyMFPNIVWKXDOSGW-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-3-methylcyclohexane?
The IUPAC name of 1-(1-bromopropyl)-3-methylcyclohexane (CID 79308612) is 1-(1-bromopropyl)-3-methylcyclohexane.
What is the SMILES notation for 1-(1-bromopropyl)-3-methylcyclohexane?
The canonical SMILES for 1-(1-bromopropyl)-3-methylcyclohexane is CCC(Br)C1CCCC(C)C1.
What is the InChIKey of 1-(1-bromopropyl)-3-methylcyclohexane?
The InChIKey is MFPNIVWKXDOSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-3-10(11)9-6-4-5-8(2)7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(1-bromopropyl)-3-methylcyclohexane?
1-(1-bromopropyl)-3-methylcyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-3-methylcyclohexane is sourced from PubChem (CID 79308612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).