(1-bromo-4-methylpent-1-enoxy)cyclohexane

C12H21BrO — CID 72805784

IUPAC(1-bromo-4-methylpent-1-enoxy)cyclohexane
SMILESCC(C)CC=C(Br)OC1CCCCC1
InChIInChI=1S/C12H21BrO/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyKQXKIUWXKUFLSB-UHFFFAOYSA-N
MW261.20 g/mol
LogP4.62
Rot. Bonds4

About (1-bromo-4-methylpent-1-enoxy)cyclohexane

(1-bromo-4-methylpent-1-enoxy)cyclohexane (PubChem CID 72805784) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is (1-bromo-4-methylpent-1-enoxy)cyclohexane.

Molecular Properties

Compound Name(1-bromo-4-methylpent-1-enoxy)cyclohexane
PubChem CID72805784
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name(1-bromo-4-methylpent-1-enoxy)cyclohexane
SMILESCC(C)CC=C(Br)OC1CCCCC1
InChIInChI=1S/C12H21BrO/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyKQXKIUWXKUFLSB-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-4-methylpent-1-enoxy)cyclohexane?
The IUPAC name of (1-bromo-4-methylpent-1-enoxy)cyclohexane (CID 72805784) is (1-bromo-4-methylpent-1-enoxy)cyclohexane.
What is the SMILES notation for (1-bromo-4-methylpent-1-enoxy)cyclohexane?
The canonical SMILES for (1-bromo-4-methylpent-1-enoxy)cyclohexane is CC(C)CC=C(Br)OC1CCCCC1.
What is the InChIKey of (1-bromo-4-methylpent-1-enoxy)cyclohexane?
The InChIKey is KQXKIUWXKUFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c1-10(2)8-9-12(13)14-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3.
What are the key properties of (1-bromo-4-methylpent-1-enoxy)cyclohexane?
(1-bromo-4-methylpent-1-enoxy)cyclohexane has a molecular weight of 261.20 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-4-methylpent-1-enoxy)cyclohexane is sourced from PubChem (CID 72805784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).