4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid

C16H28O3 — CID 151921122

IUPAC4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid
SMILESCOCC(CC(C1CCCC1)C1CCCC1)C(=O)O
InChIInChI=1S/C16H28O3/c1-19-11-14(16(17)18)10-15(12-6-2-3-7-12)13-8-4-5-9-13/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeySWUCJSVCQYICGS-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.72
Rot. Bonds7

About 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid

4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid (PubChem CID 151921122) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid.

Molecular Properties

Compound Name4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid
PubChem CID151921122
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid
SMILESCOCC(CC(C1CCCC1)C1CCCC1)C(=O)O
InChIInChI=1S/C16H28O3/c1-19-11-14(16(17)18)10-15(12-6-2-3-7-12)13-8-4-5-9-13/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeySWUCJSVCQYICGS-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
CID 103251911
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
propan-2-yl 2-cyclopentyl-3-methoxypropanoate
CID 139783286
1-methoxypropan-2-ylcyclopentane
CID 88998786
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
2-(methoxymethyl)-4-oxopentanedioic acid
CID 15097822
2-(methoxymethyl)hex-5-enoic acid
CID 146545630
2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
CID 103224494
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-cyclopentyl-3-methoxy-3-oxopropanoic acid
CID 103973424
2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
CID 106454943
2-(1,1-dioxothiolan-3-yl)-3-methoxypropanoic acid
CID 103975911

Frequently Asked Questions

What is the IUPAC name of 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid?
The IUPAC name of 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid (CID 151921122) is 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid.
What is the SMILES notation for 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid?
The canonical SMILES for 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid is COCC(CC(C1CCCC1)C1CCCC1)C(=O)O.
What is the InChIKey of 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid?
The InChIKey is SWUCJSVCQYICGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-19-11-14(16(17)18)10-15(12-6-2-3-7-12)13-8-4-5-9-13/h12-15H,2-11H2,1H3,(H,17,18).
What are the key properties of 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid?
4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid has a molecular weight of 268.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid is sourced from PubChem (CID 151921122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).