1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid

C8H14O3 — CID 120999965

IUPAC1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CC(C)C1
InChIInChI=1S/C8H14O3/c1-6-3-8(4-6,5-11-2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyRKSLVSDPVHZCNO-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.13
Rot. Bonds3

About 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid

1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid (PubChem CID 120999965) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid
PubChem CID120999965
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CC(C)C1
InChIInChI=1S/C8H14O3/c1-6-3-8(4-6,5-11-2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyRKSLVSDPVHZCNO-UHFFFAOYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-hydroxy-2,2,4-trimethylpentanoate
CID 244177
Pentanoic acid, 2,2,4-trimethyl-3-hydroxy-, isobutyl ester
CID 536397
1-(Ethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 10559105
Ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 15670506
2-(Hydroxymethyl)-2-methylpentanoic acid
CID 22728744
1-(Methoxymethyl)cyclobutane-1-carboxylic acid
CID 29893137
Methyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 57478432
1-(Hydroxymethyl)cyclobutane-1-carboxylic acid
CID 57596060
3-methylcyclobutane-1,1-dicarboxylic Acid
CID 10241060
Pentanoic acid, 3-hydroxy-2,2,4-trimethyl-, methyl ester
CID 11159608
1-[(Propan-2-yloxy)methyl]cyclobutane-1-carboxylic acid
CID 97033937
1-(Methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102569911

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid (CID 120999965) is 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid is COCC1(C(=O)O)CC(C)C1.
What is the InChIKey of 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid?
The InChIKey is RKSLVSDPVHZCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-3-8(4-6,5-11-2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid?
1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 120999965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).