(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane

C13H25BrO — CID 103018681

IUPAC(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane
SMILESCOC(C)(C)CCC(CBr)C1CCCC1
InChIInChI=1S/C13H25BrO/c1-13(2,15-3)9-8-12(10-14)11-6-4-5-7-11/h11-12H,4-10H2,1-3H3
InChIKeyXMILYKIXMCRVGU-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.39
Rot. Bonds6

About (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane

(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane (PubChem CID 103018681) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane.

Molecular Properties

Compound Name(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane
PubChem CID103018681
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane
SMILESCOC(C)(C)CCC(CBr)C1CCCC1
InChIInChI=1S/C13H25BrO/c1-13(2,15-3)9-8-12(10-14)11-6-4-5-7-11/h11-12H,4-10H2,1-3H3
InChIKeyXMILYKIXMCRVGU-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 13788887
1-Bromo-7-ethoxy-3,7-dimethyloctane
CID 22749742
10-Bromo-2-methoxy-2,6-dimethylundecane
CID 22749754
1-Bromo-9-ethoxy-4,9-dimethylundecane
CID 22749782
1-Bromo-2-methoxy-2,6,10,14-tetramethylpentadecane
CID 58771185
1-[(4S)-4,5-dimethylhexyl]-1-methoxycyclopentane
CID 59045456
4-Bromo-1-methoxy-1-methyl-6-propan-2-ylcyclooctane
CID 174750229
1-Bromo-3,7-dimethyl-7-propoxyoctane
CID 13069680
(3-Bromo-4-methoxybutyl)cyclopentane
CID 62319853
1-(Bromomethyl)-1-(octyloxy)cyclopentane
CID 63475846
2-[4-(Bromomethyl)-5-methylhexyl]oxolane
CID 66040641
2-[3-(Bromomethyl)-4-methylpentyl]oxolane
CID 66043243

Frequently Asked Questions

What is the IUPAC name of (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane?
The IUPAC name of (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane (CID 103018681) is (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane.
What is the SMILES notation for (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane?
The canonical SMILES for (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane is COC(C)(C)CCC(CBr)C1CCCC1.
What is the InChIKey of (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane?
The InChIKey is XMILYKIXMCRVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-13(2,15-3)9-8-12(10-14)11-6-4-5-7-11/h11-12H,4-10H2,1-3H3.
What are the key properties of (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane?
(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane has a molecular weight of 277.25 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane is sourced from PubChem (CID 103018681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).