5-methylspiro[2.3]hexane-5-carboxylic acid

C8H12O2 — CID 118062574

IUPAC5-methylspiro[2.3]hexane-5-carboxylic acid
SMILESCC1(C(=O)O)CC2(CC2)C1
InChIInChI=1S/C8H12O2/c1-7(6(9)10)4-8(5-7)2-3-8/h2-5H2,1H3,(H,9,10)
InChIKeyMJZHXLHJKQJUCY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.65
Rot. Bonds1

About 5-methylspiro[2.3]hexane-5-carboxylic acid

5-methylspiro[2.3]hexane-5-carboxylic acid (PubChem CID 118062574) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-methylspiro[2.3]hexane-5-carboxylic acid.

Molecular Properties

Compound Name5-methylspiro[2.3]hexane-5-carboxylic acid
PubChem CID118062574
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-methylspiro[2.3]hexane-5-carboxylic acid
SMILESCC1(C(=O)O)CC2(CC2)C1
InChIInChI=1S/C8H12O2/c1-7(6(9)10)4-8(5-7)2-3-8/h2-5H2,1H3,(H,9,10)
InChIKeyMJZHXLHJKQJUCY-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethylhexanoic Acid
CID 163217
2-Ethyl-2-methylhexanoic acid
CID 36646
Cyclobutanecarboxylic acid, 3-ethyl-3-methyl-
CID 47803
Cyclobutanecarboxylic acid, 3,3-diethyl-
CID 47804
2,2-Dimethylcyclobutane-1-carboxylic acid
CID 544657
Cyclobutanecarboxylic acid, 3-ethyl-
CID 47796
Cyclobutanecarboxylic acid, 3-tert-butyl-
CID 47805
1-Propylcyclopropane-1-carboxylic acid
CID 13707476
1-Butylcyclopropane-1-carboxylic acid
CID 21516125
1-Ethylcyclobutane-1-carboxylic acid
CID 21996033
1-Tert-butylcyclobutane-1-carboxylic acid
CID 59618756
2-Methyl-2-(propan-2-yl)cyclopropane-1-carboxylic acid
CID 62388317

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[2.3]hexane-5-carboxylic acid?
The IUPAC name of 5-methylspiro[2.3]hexane-5-carboxylic acid (CID 118062574) is 5-methylspiro[2.3]hexane-5-carboxylic acid.
What is the SMILES notation for 5-methylspiro[2.3]hexane-5-carboxylic acid?
The canonical SMILES for 5-methylspiro[2.3]hexane-5-carboxylic acid is CC1(C(=O)O)CC2(CC2)C1.
What is the InChIKey of 5-methylspiro[2.3]hexane-5-carboxylic acid?
The InChIKey is MJZHXLHJKQJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(6(9)10)4-8(5-7)2-3-8/h2-5H2,1H3,(H,9,10).
What are the key properties of 5-methylspiro[2.3]hexane-5-carboxylic acid?
5-methylspiro[2.3]hexane-5-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[2.3]hexane-5-carboxylic acid is sourced from PubChem (CID 118062574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).