(1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C18H34O3 — CID 114622761

IUPAC(1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCCOC1(C(O)C2CC(C)(C)OC2(C)C)CCC(C)CC1
InChIInChI=1S/C18H34O3/c1-7-20-18(10-8-13(2)9-11-18)15(19)14-12-16(3,4)21-17(14,5)6/h13-15,19H,7-12H2,1-6H3
InChIKeyZQZDBIHBAZYPFV-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.93
Rot. Bonds4

About (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622761) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622761
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCCOC1(C(O)C2CC(C)(C)OC2(C)C)CCC(C)CC1
InChIInChI=1S/C18H34O3/c1-7-20-18(10-8-13(2)9-11-18)15(19)14-12-16(3,4)21-17(14,5)6/h13-15,19H,7-12H2,1-6H3
InChIKeyZQZDBIHBAZYPFV-UHFFFAOYSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623564
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
[(1-methoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105277173
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
CID 114622240
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
[1-(1-ethoxy-4-methylcyclohexyl)-2-methylprop-2-enyl]hydrazine
CID 105277383
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol
CID 116754811
1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
CID 115838780
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622770
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622761) is (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CCOC1(C(O)C2CC(C)(C)OC2(C)C)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is ZQZDBIHBAZYPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-7-20-18(10-8-13(2)9-11-18)15(19)14-12-16(3,4)21-17(14,5)6/h13-15,19H,7-12H2,1-6H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 298.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).