cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane

C7H13BrO — CID 101131574

IUPACcis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane
SMILESCO[C@H]1CCC[C@]1(C)Br
InChIInChI=1S/C7H13BrO/c1-7(8)5-3-4-6(7)9-2/h6H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyDTAPMLOXBMTACP-BQBZGAKWSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds1

About cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane

cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane (PubChem CID 101131574) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane.

Molecular Properties

Compound Namecis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane
PubChem CID101131574
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Namecis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane
SMILESCO[C@H]1CCC[C@]1(C)Br
InChIInChI=1S/C7H13BrO/c1-7(8)5-3-4-6(7)9-2/h6H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyDTAPMLOXBMTACP-BQBZGAKWSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.34
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

cis-(1R,2R)-1-bromo-2-methoxy-1-methylcyclopentane
CID 130883538
2-methoxy-1,1-dimethylcyclobutane
CID 58806257
2-methoxycyclohexane-1,1-diamine
CID 22418278
cis-(1R,2R)-1-amino-2-methoxycyclopentane-1-carboxylic acid
CID 102073305
O-(2,2-dimethylcyclopentyl)hydroxylamine
CID 134461994
cis-(1S,2S)-1-chloro-2-methoxycyclopentane-1-carboxylic acid
CID 67740498
cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate
CID 68728052
(1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane
CID 98172812
(2S,3S,7R)-3-bromo-2-methoxy-3-methyl-7-phenyloxepane
CID 101258913
1,2-dibromo-1-methylcyclooctane
CID 18443823
cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
CID 14433721
(4R,5S)-4-methoxyspiro[4.6]undecan-11-one
CID 10726571

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane?
The IUPAC name of cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane (CID 101131574) is cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane.
What is the SMILES notation for cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane?
The canonical SMILES for cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane is CO[C@H]1CCC[C@]1(C)Br.
What is the InChIKey of cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane?
The InChIKey is DTAPMLOXBMTACP-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13BrO/c1-7(8)5-3-4-6(7)9-2/h6H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane?
cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane is sourced from PubChem (CID 101131574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).