3-(hydroxymethyl)-3-methylcyclobutan-1-one

C6H10O2 — CID 86811257

IUPAC3-(hydroxymethyl)-3-methylcyclobutan-1-one
SMILESCC1(CO)CC(=O)C1
InChIInChI=1S/C6H10O2/c1-6(4-7)2-5(8)3-6/h7H,2-4H2,1H3
InChIKeyIJYXWHKZTMPPFH-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.35
Rot. Bonds1

About 3-(hydroxymethyl)-3-methylcyclobutan-1-one

3-(hydroxymethyl)-3-methylcyclobutan-1-one (PubChem CID 86811257) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-(hydroxymethyl)-3-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-3-methylcyclobutan-1-one
PubChem CID86811257
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-(hydroxymethyl)-3-methylcyclobutan-1-one
SMILESCC1(CO)CC(=O)C1
InChIInChI=1S/C6H10O2/c1-6(4-7)2-5(8)3-6/h7H,2-4H2,1H3
InChIKeyIJYXWHKZTMPPFH-UHFFFAOYSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-3-methylcyclobutan-1-one?
The IUPAC name of 3-(hydroxymethyl)-3-methylcyclobutan-1-one (CID 86811257) is 3-(hydroxymethyl)-3-methylcyclobutan-1-one.
What is the SMILES notation for 3-(hydroxymethyl)-3-methylcyclobutan-1-one?
The canonical SMILES for 3-(hydroxymethyl)-3-methylcyclobutan-1-one is CC1(CO)CC(=O)C1.
What is the InChIKey of 3-(hydroxymethyl)-3-methylcyclobutan-1-one?
The InChIKey is IJYXWHKZTMPPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(4-7)2-5(8)3-6/h7H,2-4H2,1H3.
What are the key properties of 3-(hydroxymethyl)-3-methylcyclobutan-1-one?
3-(hydroxymethyl)-3-methylcyclobutan-1-one has a molecular weight of 114.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-3-methylcyclobutan-1-one is sourced from PubChem (CID 86811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).