cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol

C10H18O2 — CID 165444335

IUPACcis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol
SMILESO[C@@H]1CCCCC[C@H]1CC1CO1
InChIInChI=1S/C10H18O2/c11-10-5-3-1-2-4-8(10)6-9-7-12-9/h8-11H,1-7H2/t8-,9?,10+/m0/s1
InChIKeyGTOFBIYBVRIFCX-DJBFQZMMSA-N
MW170.25 g/mol
LogP1.72
Rot. Bonds2

About cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol

cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol (PubChem CID 165444335) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol
PubChem CID165444335
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namecis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol
SMILESO[C@@H]1CCCCC[C@H]1CC1CO1
InChIInChI=1S/C10H18O2/c11-10-5-3-1-2-4-8(10)6-9-7-12-9/h8-11H,1-7H2/t8-,9?,10+/m0/s1
InChIKeyGTOFBIYBVRIFCX-DJBFQZMMSA-N
XLogP1.72
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol (CID 165444335) is cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol is O[C@@H]1CCCCC[C@H]1CC1CO1.
What is the InChIKey of cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol?
The InChIKey is GTOFBIYBVRIFCX-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H18O2/c11-10-5-3-1-2-4-8(10)6-9-7-12-9/h8-11H,1-7H2/t8-,9?,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol?
cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(oxiran-2-ylmethyl)cycloheptan-1-ol is sourced from PubChem (CID 165444335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).