1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid

C10H16O3 — CID 127019039

IUPAC1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2CC2)CCC(O)CC1
InChIInChI=1S/C10H16O3/c11-8-3-5-10(6-4-8,9(12)13)7-1-2-7/h7-8,11H,1-6H2,(H,12,13)
InChIKeyHVMWJUBCHMAIPK-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.40
Rot. Bonds2

About 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid

1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 127019039) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID127019039
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2CC2)CCC(O)CC1
InChIInChI=1S/C10H16O3/c11-8-3-5-10(6-4-8,9(12)13)7-1-2-7/h7-8,11H,1-6H2,(H,12,13)
InChIKeyHVMWJUBCHMAIPK-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid (CID 127019039) is 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid is O=C(O)C1(C2CC2)CCC(O)CC1.
What is the InChIKey of 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is HVMWJUBCHMAIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-3-5-10(6-4-8,9(12)13)7-1-2-7/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid?
1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 127019039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).