1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one

C9H16O2 — CID 158487254

IUPAC1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)C1(O)CC1
InChIInChI=1S/C9H16O2/c1-8(2,3)6-7(10)9(11)4-5-9/h11H,4-6H2,1-3H3
InChIKeyLCFSUEBDJKDYRL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds2

About 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one

1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one (PubChem CID 158487254) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one
PubChem CID158487254
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)C1(O)CC1
InChIInChI=1S/C9H16O2/c1-8(2,3)6-7(10)9(11)4-5-9/h11H,4-6H2,1-3H3
InChIKeyLCFSUEBDJKDYRL-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutanoyl)cyclopropane-1-carbonitrile
CID 169042054
1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 115874379
N-tert-butyl-1-hydroxycyclopropane-1-carboxamide
CID 139520715
1-(1-tert-butylcyclopropyl)propan-1-one
CID 158981534
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
N-(2,2-dimethylpropyl)-1-hydroxycyclobutane-1-carboxamide
CID 126988304
1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 130734788
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
CID 89417425
3,3-dimethylbutanoic acid;yttrium
CID 59798482
CID 159178711
CID 159178711
3,3-dimethyl-1-silylbutan-1-one
CID 154090082
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one (CID 158487254) is 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)C1(O)CC1.
What is the InChIKey of 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one?
The InChIKey is LCFSUEBDJKDYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2,3)6-7(10)9(11)4-5-9/h11H,4-6H2,1-3H3.
What are the key properties of 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one?
1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclopropyl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 158487254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).