1-cyclohexyl-3-(oxolan-3-yl)propan-2-one

C13H22O2 — CID 103986258

IUPAC1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
SMILESO=C(CC1CCCCC1)CC1CCOC1
InChIInChI=1S/C13H22O2/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyIEWHDWWRUFBDGI-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds4

About 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one

1-cyclohexyl-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986258) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
PubChem CID103986258
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
SMILESO=C(CC1CCCCC1)CC1CCOC1
InChIInChI=1S/C13H22O2/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyIEWHDWWRUFBDGI-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Oxaspiro[4.5]decan-8-one
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4-(3-Oxobutyl)-3-propyl-tetrahydrofuran-2-one
CID 86573717
2-(2-Methoxyethyl)cyclohexanone
CID 566631
3-(Oxolan-2-yl)cyclohexan-1-one
CID 85840148
(2R)-2-(2-methoxyethyl)cyclohexan-1-one
CID 11051899
a-Cyclohexylmethylbutyrolacton
CID 68744317
3-(Oxan-2-yl)cyclohexan-1-one
CID 154716353
4-(2-Cyclohexylethyl)oxolan-2-one
CID 10559803
3-(Oxolan-3-ylmethyl)octan-2-one
CID 25062090
3-(2-Methoxyethyl)octan-2-one
CID 25062094
3-(Cyclohexanecarbonyl)oxolan-2-one
CID 67419752

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one (CID 103986258) is 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one is O=C(CC1CCCCC1)CC1CCOC1.
What is the InChIKey of 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one?
The InChIKey is IEWHDWWRUFBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h11-12H,1-10H2.
What are the key properties of 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one?
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).