(1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane

C10H16BrClO — CID 155404454

IUPAC(1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane
SMILESC[C@@]1(Br)CCC(OC2CC2)C(Cl)C1
InChIInChI=1S/C10H16BrClO/c1-10(11)5-4-9(8(12)6-10)13-7-2-3-7/h7-9H,2-6H2,1H3/t8?,9?,10-/m1/s1
InChIKeyUYDFMWZORIKICC-UDNWOFFPSA-N
MW267.59 g/mol
LogP3.48
Rot. Bonds2

About (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane

(1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane (PubChem CID 155404454) has the molecular formula C10H16BrClO and a molecular weight of 267.59 g/mol. Its IUPAC name is (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane.

Molecular Properties

Compound Name(1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane
PubChem CID155404454
Molecular FormulaC10H16BrClO
Molecular Weight267.59 g/mol
Exact Mass266.01
IUPAC Name(1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane
SMILESC[C@@]1(Br)CCC(OC2CC2)C(Cl)C1
InChIInChI=1S/C10H16BrClO/c1-10(11)5-4-9(8(12)6-10)13-7-2-3-7/h7-9H,2-6H2,1H3/t8?,9?,10-/m1/s1
InChIKeyUYDFMWZORIKICC-UDNWOFFPSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane?
The IUPAC name of (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane (CID 155404454) is (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane.
What is the SMILES notation for (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane?
The canonical SMILES for (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane is C[C@@]1(Br)CCC(OC2CC2)C(Cl)C1.
What is the InChIKey of (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane?
The InChIKey is UYDFMWZORIKICC-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H16BrClO/c1-10(11)5-4-9(8(12)6-10)13-7-2-3-7/h7-9H,2-6H2,1H3/t8?,9?,10-/m1/s1.
What are the key properties of (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane?
(1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane has a molecular weight of 267.59 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-bromo-3-chloro-4-cyclopropyloxy-1-methylcyclohexane is sourced from PubChem (CID 155404454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).