[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate

C15H28O4 — CID 91482253

IUPAC[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate
SMILESCC(=O)OCC(O)COC1CCCC(C)(C(C)C)C1
InChIInChI=1S/C15H28O4/c1-11(2)15(4)7-5-6-14(8-15)19-10-13(17)9-18-12(3)16/h11,13-14,17H,5-10H2,1-4H3
InChIKeyUUWQCIMMTJAGQO-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.53
Rot. Bonds6

About [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate

[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate (PubChem CID 91482253) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate
PubChem CID91482253
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate
SMILESCC(=O)OCC(O)COC1CCCC(C)(C(C)C)C1
InChIInChI=1S/C15H28O4/c1-11(2)15(4)7-5-6-14(8-15)19-10-13(17)9-18-12(3)16/h11,13-14,17H,5-10H2,1-4H3
InChIKeyUUWQCIMMTJAGQO-UHFFFAOYSA-N
XLogP2.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
CID 123414870
2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetaldehyde
CID 57151132
(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate
CID 20570511
1-O-methyl 2-O-(3-methyl-3-propan-2-ylcyclohexyl) oxalate
CID 91504117
2-(3-methyl-3-propan-2-ylcyclohexyl)oxyethyl 2-hydroxy-4-oxo-4-phenylbutanoate
CID 57223666
8-(3-methyl-3-propan-2-ylcyclohexyl)oxy-8-oxooctanoic acid
CID 90777342
sodium;hydride;(3-methyl-3-propan-2-ylcyclohexyl)oxycarbonyl hydroxymethanesulfonate
CID 173340615
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
2-(3-methyl-3-propan-2-ylcyclohexyl)oxyethanol;(5-methyl-2-prop-1-en-2-ylcyclohexyl) hydrogen carbonate
CID 68898440
(3-methyl-3-propan-2-ylcyclohexyl) 2-hydroxybenzoate
CID 54028398
(3-methyl-3-propan-2-ylcyclohexyl) 3-hydroxybutanoate;N,2,3-trimethyl-2-propan-2-ylbutanamide
CID 69120313
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate?
The IUPAC name of [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate (CID 91482253) is [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate.
What is the SMILES notation for [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate?
The canonical SMILES for [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate is CC(=O)OCC(O)COC1CCCC(C)(C(C)C)C1.
What is the InChIKey of [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate?
The InChIKey is UUWQCIMMTJAGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(2)15(4)7-5-6-14(8-15)19-10-13(17)9-18-12(3)16/h11,13-14,17H,5-10H2,1-4H3.
What are the key properties of [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate?
[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate has a molecular weight of 272.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate is sourced from PubChem (CID 91482253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).