(1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid

C7H10O3 — CID 25068053

IUPAC(1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@@]1(O)CC=CCC1
InChIInChI=1S/C7H10O3/c8-6(9)7(10)4-2-1-3-5-7/h1-2,10H,3-5H2,(H,8,9)/t7-/m1/s1
InChIKeyFLFJFASGYBUPKU-SSDOTTSWSA-N
MW142.15 g/mol
LogP0.54
Rot. Bonds1

About (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid

(1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid (PubChem CID 25068053) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid
PubChem CID25068053
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@@]1(O)CC=CCC1
InChIInChI=1S/C7H10O3/c8-6(9)7(10)4-2-1-3-5-7/h1-2,10H,3-5H2,(H,8,9)/t7-/m1/s1
InChIKeyFLFJFASGYBUPKU-SSDOTTSWSA-N
XLogP0.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid (CID 25068053) is (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid is O=C(O)[C@@]1(O)CC=CCC1.
What is the InChIKey of (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid?
The InChIKey is FLFJFASGYBUPKU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O3/c8-6(9)7(10)4-2-1-3-5-7/h1-2,10H,3-5H2,(H,8,9)/t7-/m1/s1.
What are the key properties of (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid?
(1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 25068053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).