cyclohexyl-(3-methyloxolan-2-yl)methanone

C12H20O2 — CID 114962159

IUPACcyclohexyl-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-9-7-8-14-12(9)11(13)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeySQTZFJGRJFCIHN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds2

About cyclohexyl-(3-methyloxolan-2-yl)methanone

cyclohexyl-(3-methyloxolan-2-yl)methanone (PubChem CID 114962159) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclohexyl-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-methyloxolan-2-yl)methanone
PubChem CID114962159
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecyclohexyl-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-9-7-8-14-12(9)11(13)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeySQTZFJGRJFCIHN-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone
CID 114969273
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
cyclobutyl-(2-methyloxolan-3-yl)methanone
CID 115811561
propyl 3-methyloxolane-2-carboxylate
CID 81433606
methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
CID 81463255
dicyclohexylmethanone;formaldehyde
CID 175300134
prop-2-ynyl 3-methyloxolane-2-carboxylate
CID 130622028
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
1-(3-methyloxolan-2-yl)nonan-1-one
CID 114966839

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-methyloxolan-2-yl)methanone?
The IUPAC name of cyclohexyl-(3-methyloxolan-2-yl)methanone (CID 114962159) is cyclohexyl-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for cyclohexyl-(3-methyloxolan-2-yl)methanone is CC1CCOC1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3-methyloxolan-2-yl)methanone?
The InChIKey is SQTZFJGRJFCIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-7-8-14-12(9)11(13)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3.
What are the key properties of cyclohexyl-(3-methyloxolan-2-yl)methanone?
cyclohexyl-(3-methyloxolan-2-yl)methanone has a molecular weight of 196.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 114962159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).