(2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate

C17H30O4 — CID 138030110

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate
SMILESCC1(C)CC(COC(=O)CC2(O)CCCCC2)C(C)(C)O1
InChIInChI=1S/C17H30O4/c1-15(2)10-13(16(3,4)21-15)12-20-14(18)11-17(19)8-6-5-7-9-17/h13,19H,5-12H2,1-4H3
InChIKeyMTSKUELLQHXQFL-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.21
Rot. Bonds4

About (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate

(2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate (PubChem CID 138030110) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate
PubChem CID138030110
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate
SMILESCC1(C)CC(COC(=O)CC2(O)CCCCC2)C(C)(C)O1
InChIInChI=1S/C17H30O4/c1-15(2)10-13(16(3,4)21-15)12-20-14(18)11-17(19)8-6-5-7-9-17/h13,19H,5-12H2,1-4H3
InChIKeyMTSKUELLQHXQFL-UHFFFAOYSA-N
XLogP3.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-hydroxycyclohexyl)acetate iodide
CID 3053875
2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate
CID 3053872
2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114624678
(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate
CID 10923190
3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
3-[2-(1-methylcyclopentyl)acetyl]oxypropyl 2-(1-methylcyclopentyl)acetate
CID 131972587
methyl 3-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylbutanoate
CID 114621054
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200
ethyl 2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]acetate
CID 793360
phenyl 2-(1-hydroxycyclohexyl)acetate
CID 57448980
oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240412

Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate (CID 138030110) is (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate is CC1(C)CC(COC(=O)CC2(O)CCCCC2)C(C)(C)O1.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate?
The InChIKey is MTSKUELLQHXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-15(2)10-13(16(3,4)21-15)12-20-14(18)11-17(19)8-6-5-7-9-17/h13,19H,5-12H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate?
(2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate has a molecular weight of 298.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyloxolan-3-yl)methyl 2-(1-hydroxycyclohexyl)acetate is sourced from PubChem (CID 138030110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).