propyl 4-hydroxycyclohexane-1-carboxylate

C10H18O3 — CID 71338866

IUPACpropyl 4-hydroxycyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(O)CC1
InChIInChI=1S/C10H18O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h8-9,11H,2-7H2,1H3
InChIKeyPGSHKRZDHRICCG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds3

About propyl 4-hydroxycyclohexane-1-carboxylate

propyl 4-hydroxycyclohexane-1-carboxylate (PubChem CID 71338866) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is propyl 4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-hydroxycyclohexane-1-carboxylate
PubChem CID71338866
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namepropyl 4-hydroxycyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(O)CC1
InChIInChI=1S/C10H18O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h8-9,11H,2-7H2,1H3
InChIKeyPGSHKRZDHRICCG-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79524646
4-O-tert-butyl 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983945
propyl thiane-4-carboxylate
CID 135122723
cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
CID 165351670
ethyl 4-hydroxycyclohexane-1-carboxylate;4-hydroxycyclohexane-1-carboxylic acid
CID 161494785
propyl 4-oxocyclohexane-1-carboxylate
CID 129121656
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
2-propoxyethyl 4-aminocyclohexane-1-carboxylate
CID 63684339
4-O-(6-methylheptyl) 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983668
2-propoxyethyl cyclohexanecarboxylate
CID 66700127

Frequently Asked Questions

What is the IUPAC name of propyl 4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of propyl 4-hydroxycyclohexane-1-carboxylate (CID 71338866) is propyl 4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for propyl 4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for propyl 4-hydroxycyclohexane-1-carboxylate is CCCOC(=O)C1CCC(O)CC1.
What is the InChIKey of propyl 4-hydroxycyclohexane-1-carboxylate?
The InChIKey is PGSHKRZDHRICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h8-9,11H,2-7H2,1H3.
What are the key properties of propyl 4-hydroxycyclohexane-1-carboxylate?
propyl 4-hydroxycyclohexane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 71338866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).