(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C17H30O2 — CID 114622432

IUPAC(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCCC1CCC(C(=O)C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H30O2/c1-6-12-7-9-13(10-8-12)15(18)14-11-16(2,3)19-17(14,4)5/h12-14H,6-11H2,1-5H3
InChIKeyQSGJHZFFJKZNMB-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.37
Rot. Bonds3

About (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 114622432) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID114622432
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCCC1CCC(C(=O)C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H30O2/c1-6-12-7-9-13(10-8-12)15(18)14-11-16(2,3)19-17(14,4)5/h12-14H,6-11H2,1-5H3
InChIKeyQSGJHZFFJKZNMB-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814070
(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622521
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114624606
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622442

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 114622432) is (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CCC1CCC(C(=O)C2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is QSGJHZFFJKZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-12-7-9-13(10-8-12)15(18)14-11-16(2,3)19-17(14,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 266.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 114622432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).