2-propoxycyclohexane-1-carboxylic acid

C10H18O3 — CID 18953092

IUPAC2-propoxycyclohexane-1-carboxylic acid
SMILESCCCOC1CCCCC1C(=O)O
InChIInChI=1S/C10H18O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyVVPDCBWGYNXPEG-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.06
Rot. Bonds4

About 2-propoxycyclohexane-1-carboxylic acid

2-propoxycyclohexane-1-carboxylic acid (PubChem CID 18953092) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-propoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-propoxycyclohexane-1-carboxylic acid
PubChem CID18953092
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-propoxycyclohexane-1-carboxylic acid
SMILESCCCOC1CCCCC1C(=O)O
InChIInChI=1S/C10H18O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyVVPDCBWGYNXPEG-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propoxycyclohexane-1-carboxylic acid?
The IUPAC name of 2-propoxycyclohexane-1-carboxylic acid (CID 18953092) is 2-propoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-propoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 2-propoxycyclohexane-1-carboxylic acid is CCCOC1CCCCC1C(=O)O.
What is the InChIKey of 2-propoxycyclohexane-1-carboxylic acid?
The InChIKey is VVPDCBWGYNXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-propoxycyclohexane-1-carboxylic acid?
2-propoxycyclohexane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 18953092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).