1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid

C16H28O3 — CID 80611955

IUPAC1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCCCC2O)CCCCCCC1
InChIInChI=1S/C16H28O3/c17-14-10-6-4-5-9-13(14)16(15(18)19)11-7-2-1-3-8-12-16/h13-14,17H,1-12H2,(H,18,19)
InChIKeyRMZLAWVCHQCQPF-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.74
Rot. Bonds2

About 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid

1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid (PubChem CID 80611955) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid
PubChem CID80611955
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCCCC2O)CCCCCCC1
InChIInChI=1S/C16H28O3/c17-14-10-6-4-5-9-13(14)16(15(18)19)11-7-2-1-3-8-12-16/h13-14,17H,1-12H2,(H,18,19)
InChIKeyRMZLAWVCHQCQPF-UHFFFAOYSA-N
XLogP3.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid (CID 80611955) is 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid is O=C(O)C1(C2CCCCCC2O)CCCCCCC1.
What is the InChIKey of 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid?
The InChIKey is RMZLAWVCHQCQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c17-14-10-6-4-5-9-13(14)16(15(18)19)11-7-2-1-3-8-12-16/h13-14,17H,1-12H2,(H,18,19).
What are the key properties of 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid?
1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid is sourced from PubChem (CID 80611955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).