1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one

C11H20O2 — CID 15781023

IUPAC1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C11H20O2/c1-11(2,3)7-10(13)8-4-5-9(12)6-8/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyQDAPPDMHACZURH-IUCAKERBSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds2

About 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one

1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one (PubChem CID 15781023) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one
PubChem CID15781023
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C11H20O2/c1-11(2,3)7-10(13)8-4-5-9(12)6-8/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyQDAPPDMHACZURH-IUCAKERBSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxycyclopentyl)-3,3-dimethylbutan-1-one
CID 85212992
1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
CID 10515261
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
1-(4-hydroxypyrrolidin-2-yl)-3,3-dimethylbutan-1-one
CID 59908097
3-amino-1-(3,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116581016
1-[(4Z)-cyclooct-4-en-1-yl]-3,3-dimethylbutan-1-one
CID 58281125
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
methyl (1R)-3-hydroxycyclopentane-1-carboxylate
CID 90130718
cis-methyl (1S,3R)-3-hydroxycyclopentane-1-carboxylate
CID 58928079
3,3-dimethyl-1-(1-propan-2-ylazetidin-3-yl)butan-1-one
CID 59216544
3,3-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)butan-1-one
CID 171938541
4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
CID 65402131

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one (CID 15781023) is 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)[C@H]1CC[C@H](O)C1.
What is the InChIKey of 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one?
The InChIKey is QDAPPDMHACZURH-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)7-10(13)8-4-5-9(12)6-8/h8-9,12H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one?
1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 15781023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).