2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid

C12H22O2 — CID 19913496

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
SMILESCC1CCC(C(C)C)C(CC(=O)O)C1
InChIInChI=1S/C12H22O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyBWILOKXTGAEHCY-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.17
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid

2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid (PubChem CID 19913496) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
PubChem CID19913496
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
SMILESCC1CCC(C(C)C)C(CC(=O)O)C1
InChIInChI=1S/C12H22O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyBWILOKXTGAEHCY-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid (CID 19913496) is 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid is CC1CCC(C(C)C)C(CC(=O)O)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid?
The InChIKey is BWILOKXTGAEHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid?
2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid has a molecular weight of 198.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid is sourced from PubChem (CID 19913496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).