cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol

C7H13ClO — CID 15528876

IUPACcis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol
SMILESCC[C@H]1C[C@@]1(O)CCCl
InChIInChI=1S/C7H13ClO/c1-2-6-5-7(6,9)3-4-8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyIGEILXAOOOIWDY-BQBZGAKWSA-N
MW148.63 g/mol
LogP1.78
Rot. Bonds3

About cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol

cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol (PubChem CID 15528876) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol
PubChem CID15528876
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Namecis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol
SMILESCC[C@H]1C[C@@]1(O)CCCl
InChIInChI=1S/C7H13ClO/c1-2-6-5-7(6,9)3-4-8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyIGEILXAOOOIWDY-BQBZGAKWSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol?
The IUPAC name of cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol (CID 15528876) is cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol?
The canonical SMILES for cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol is CC[C@H]1C[C@@]1(O)CCCl.
What is the InChIKey of cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol?
The InChIKey is IGEILXAOOOIWDY-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-6-5-7(6,9)3-4-8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol?
cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol has a molecular weight of 148.63 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol is sourced from PubChem (CID 15528876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).