trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol

C8H16O3 — CID 11309669

IUPACtrans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol
SMILESCOC(OC)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7(6)9/h6-9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyYRLQSZHXDXQCND-BQBZGAKWSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds3

About trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol

trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol (PubChem CID 11309669) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol
PubChem CID11309669
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nametrans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol
SMILESCOC(OC)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7(6)9/h6-9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyYRLQSZHXDXQCND-BQBZGAKWSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol (CID 11309669) is trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol is COC(OC)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol?
The InChIKey is YRLQSZHXDXQCND-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7(6)9/h6-9H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol?
trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 11309669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).