cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride

C7H11ClO2 — CID 14711766

IUPACcis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
SMILESCO[C@H]1CCC[C@H]1C(=O)Cl
InChIInChI=1S/C7H11ClO2/c1-10-6-4-2-3-5(6)7(8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyDSJHCBIANACFMM-RITPCOANSA-N
MW162.62 g/mol
LogP1.57
Rot. Bonds2

About cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride

cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride (PubChem CID 14711766) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
PubChem CID14711766
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Namecis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
SMILESCO[C@H]1CCC[C@H]1C(=O)Cl
InChIInChI=1S/C7H11ClO2/c1-10-6-4-2-3-5(6)7(8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyDSJHCBIANACFMM-RITPCOANSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride?
The IUPAC name of cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride (CID 14711766) is cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride.
What is the SMILES notation for cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride?
The canonical SMILES for cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride is CO[C@H]1CCC[C@H]1C(=O)Cl.
What is the InChIKey of cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride?
The InChIKey is DSJHCBIANACFMM-RITPCOANSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-10-6-4-2-3-5(6)7(8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride?
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride has a molecular weight of 162.62 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride is sourced from PubChem (CID 14711766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).