4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid

C14H24O4 — CID 114451121

IUPAC4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC2CCCCCC2O)CC1
InChIInChI=1S/C14H24O4/c15-12-4-2-1-3-5-13(12)18-11-8-6-10(7-9-11)14(16)17/h10-13,15H,1-9H2,(H,16,17)
InChIKeyQTPWLLDMZCVNQA-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.34
Rot. Bonds3

About 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid

4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid (PubChem CID 114451121) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid
PubChem CID114451121
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC2CCCCCC2O)CC1
InChIInChI=1S/C14H24O4/c15-12-4-2-1-3-5-13(12)18-11-8-6-10(7-9-11)14(16)17/h10-13,15H,1-9H2,(H,16,17)
InChIKeyQTPWLLDMZCVNQA-UHFFFAOYSA-N
XLogP2.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-cyclohexyloxycyclohexan-1-ol
CID 92950752
trans-(1R,2R)-2-cyclohexyloxycyclopentan-1-ol
CID 131704149
trans-(1R,2R)-2-cyclobutyloxycyclopentan-1-ol
CID 131703611
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
4-hydroxycyclododecane-1-carboxylic acid
CID 23321574
1,2-dicyclopropyloxycyclohexane
CID 175423114

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid (CID 114451121) is 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid is O=C(O)C1CCC(OC2CCCCCC2O)CC1.
What is the InChIKey of 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid?
The InChIKey is QTPWLLDMZCVNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-12-4-2-1-3-5-13(12)18-11-8-6-10(7-9-11)14(16)17/h10-13,15H,1-9H2,(H,16,17).
What are the key properties of 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid?
4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).