propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate

C11H16O3 — CID 139428618

IUPACpropyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate
SMILESCCCOC(=O)C1(O)C2(CC2)C12CC2
InChIInChI=1S/C11H16O3/c1-2-7-14-8(12)11(13)9(3-4-9)10(11)5-6-10/h13H,2-7H2,1H3
InChIKeyBDWJYSNNFUVIMN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.24
Rot. Bonds3

About propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate

propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate (PubChem CID 139428618) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate.

Molecular Properties

Compound Namepropyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate
PubChem CID139428618
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namepropyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate
SMILESCCCOC(=O)C1(O)C2(CC2)C12CC2
InChIInChI=1S/C11H16O3/c1-2-7-14-8(12)11(13)9(3-4-9)10(11)5-6-10/h13H,2-7H2,1H3
InChIKeyBDWJYSNNFUVIMN-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63125915
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dipropyl oxane-4,4-dicarboxylate
CID 69415052
1-propoxycarbonylcyclobutane-1-carboxylic acid
CID 90449505
propyl 1-amino-4-oxocyclohexane-1-carboxylate
CID 153351998
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863
1-O-ethyl 2-O-propyl 1,2,4,4-tetramethylcyclohexane-1,2-dicarboxylate
CID 146562618
propyl 4-cyanooxane-4-carboxylate
CID 69413427
2-propoxyethyl 4-ethylpiperidine-4-carboxylate
CID 63686530
dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
CID 66858398
pentyl 1-chlorocyclopropane-1-carboxylate
CID 164737985

Frequently Asked Questions

What is the IUPAC name of propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate?
The IUPAC name of propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate (CID 139428618) is propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate.
What is the SMILES notation for propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate?
The canonical SMILES for propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate is CCCOC(=O)C1(O)C2(CC2)C12CC2.
What is the InChIKey of propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate?
The InChIKey is BDWJYSNNFUVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-7-14-8(12)11(13)9(3-4-9)10(11)5-6-10/h13H,2-7H2,1H3.
What are the key properties of propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate?
propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate is sourced from PubChem (CID 139428618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).