[3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate

C14H26O4 — CID 141464729

IUPAC[3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate
SMILESCC(=O)OC1(C)CCC(C(C)C)C(OCCO)C1
InChIInChI=1S/C14H26O4/c1-10(2)12-5-6-14(4,18-11(3)16)9-13(12)17-8-7-15/h10,12-13,15H,5-9H2,1-4H3
InChIKeyPRUOCUXEDXEOBZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.14
Rot. Bonds5

About [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate

[3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate (PubChem CID 141464729) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate.

Molecular Properties

Compound Name[3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate
PubChem CID141464729
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate
SMILESCC(=O)OC1(C)CCC(C(C)C)C(OCCO)C1
InChIInChI=1S/C14H26O4/c1-10(2)12-5-6-14(4,18-11(3)16)9-13(12)17-8-7-15/h10,12-13,15H,5-9H2,1-4H3
InChIKeyPRUOCUXEDXEOBZ-UHFFFAOYSA-N
XLogP2.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl (1-methyl-4-propan-2-ylcyclohexyl) carbonate
CID 138488184
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1-methyl-5-propan-2-ylcyclononyl) acetate
CID 90798249
[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2-methylprop-2-enoate
CID 174537266
[(1R,3S,4R)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 174702395
[(1R,4R)-1-methyl-3-oxo-4-propan-2-ylcyclohexyl] acetate
CID 162873975
(1-methyl-4-propan-2-ylcyclohexyl) ethaneperoxoate
CID 158287859
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] naphthalene-1-carboxylate
CID 174728339
(1-methylcyclobutyl) acetate
CID 13396130
[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
CID 158589886

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate?
The IUPAC name of [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate (CID 141464729) is [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate.
What is the SMILES notation for [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate?
The canonical SMILES for [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate is CC(=O)OC1(C)CCC(C(C)C)C(OCCO)C1.
What is the InChIKey of [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate?
The InChIKey is PRUOCUXEDXEOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-10(2)12-5-6-14(4,18-11(3)16)9-13(12)17-8-7-15/h10,12-13,15H,5-9H2,1-4H3.
What are the key properties of [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate?
[3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate has a molecular weight of 258.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethoxy)-1-methyl-4-propan-2-ylcyclohexyl] acetate is sourced from PubChem (CID 141464729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).