cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid

C9H16O4 — CID 11116791

IUPACcis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid
SMILESCOC(OC)[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16O4/c1-12-9(13-2)7-4-3-6(5-7)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyBXPZFSFSAXJEIV-RQJHMYQMSA-N
MW188.22 g/mol
LogP1.11
Rot. Bonds4

About cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid (PubChem CID 11116791) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid
PubChem CID11116791
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namecis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid
SMILESCOC(OC)[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16O4/c1-12-9(13-2)7-4-3-6(5-7)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t6-,7+/m1/s1
InChIKeyBXPZFSFSAXJEIV-RQJHMYQMSA-N
XLogP1.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.11
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 cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid (CID 11116791) is cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid is COC(OC)[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid?
The InChIKey is BXPZFSFSAXJEIV-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H16O4/c1-12-9(13-2)7-4-3-6(5-7)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid has a molecular weight of 188.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 11116791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).