2-methylcyclooctane-1-carboxylic acid

C10H18O2 — CID 21039885

IUPAC2-methylcyclooctane-1-carboxylic acid
SMILESCC1CCCCCCC1C(=O)O
InChIInChI=1S/C10H18O2/c1-8-6-4-2-3-5-7-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyVJJFDGJFDIAUSE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.68
Rot. Bonds1

About 2-methylcyclooctane-1-carboxylic acid

2-methylcyclooctane-1-carboxylic acid (PubChem CID 21039885) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methylcyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-methylcyclooctane-1-carboxylic acid
PubChem CID21039885
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methylcyclooctane-1-carboxylic acid
SMILESCC1CCCCCCC1C(=O)O
InChIInChI=1S/C10H18O2/c1-8-6-4-2-3-5-7-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyVJJFDGJFDIAUSE-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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CID 61840
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CID 62003

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclooctane-1-carboxylic acid?
The IUPAC name of 2-methylcyclooctane-1-carboxylic acid (CID 21039885) is 2-methylcyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-methylcyclooctane-1-carboxylic acid?
The canonical SMILES for 2-methylcyclooctane-1-carboxylic acid is CC1CCCCCCC1C(=O)O.
What is the InChIKey of 2-methylcyclooctane-1-carboxylic acid?
The InChIKey is VJJFDGJFDIAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-6-4-2-3-5-7-9(8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-methylcyclooctane-1-carboxylic acid?
2-methylcyclooctane-1-carboxylic acid has a molecular weight of 170.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclooctane-1-carboxylic acid is sourced from PubChem (CID 21039885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).