1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid

C12H20O3 — CID 115027968

IUPAC1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCCCC2)CC(O)C1
InChIInChI=1S/C12H20O3/c13-10-7-12(8-10,11(14)15)9-5-3-1-2-4-6-9/h9-10,13H,1-8H2,(H,14,15)
InChIKeyZKBVWUBWRDBXFK-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.18
Rot. Bonds2

About 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid

1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 115027968) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID115027968
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCCCC2)CC(O)C1
InChIInChI=1S/C12H20O3/c13-10-7-12(8-10,11(14)15)9-5-3-1-2-4-6-9/h9-10,13H,1-8H2,(H,14,15)
InChIKeyZKBVWUBWRDBXFK-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115021943
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1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone
CID 15210262
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1-(2-hydroxycycloheptyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428358
4-butyl-1-cycloheptylcyclohexane-1-carboxylic acid
CID 82929194
1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid
CID 80611955
(4aR,8aS)-6-oxo-1,2,3,4,5,7,8,8a-octahydronaphthalene-4a-carboxylic acid
CID 12571488
1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
CID 79428277
spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
CID 141032802
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CID 115036874

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid (CID 115027968) is 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid is O=C(O)C1(C2CCCCCC2)CC(O)C1.
What is the InChIKey of 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is ZKBVWUBWRDBXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-10-7-12(8-10,11(14)15)9-5-3-1-2-4-6-9/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid?
1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 115027968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).