1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane

C20H40O2 — CID 134285356

IUPAC1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane
SMILESCCO[C@H](C)C1CCC(CC(C)[C@@H](C)OCC(C)(C)C)CC1
InChIInChI=1S/C20H40O2/c1-8-21-17(4)19-11-9-18(10-12-19)13-15(2)16(3)22-14-20(5,6)7/h15-19H,8-14H2,1-7H3/t15?,16-,17-,18?,19?/m1/s1
InChIKeyKMFIIHDVALKPJZ-PXWOONSHSA-N
MW312.54 g/mol
LogP5.70
Rot. Bonds8

About 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane

1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane (PubChem CID 134285356) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane.

Molecular Properties

Compound Name1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane
PubChem CID134285356
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane
SMILESCCO[C@H](C)C1CCC(CC(C)[C@@H](C)OCC(C)(C)C)CC1
InChIInChI=1S/C20H40O2/c1-8-21-17(4)19-11-9-18(10-12-19)13-15(2)16(3)22-14-20(5,6)7/h15-19H,8-14H2,1-7H3/t15?,16-,17-,18?,19?/m1/s1
InChIKeyKMFIIHDVALKPJZ-PXWOONSHSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
dimethoxysilane;1-ethoxyethylcyclopropane;methanamine
CID 175354718
4-(3-ethoxy-3-hydroxy-2-methylpropyl)cyclohexane-1-carbonitrile
CID 70843790
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 67853298
3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
3-(1-ethoxyethyl)oxolane
CID 11788363
1-[4-[ethoxy(hydroxy)methyl]cyclohexyl]propan-2-one
CID 163849050
1-(3-methylpentan-3-yloxy)ethylcyclopropane
CID 91010991
(2-chloro-3-methylpentyl)cyclopropane
CID 130480709

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane?
The IUPAC name of 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane (CID 134285356) is 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane.
What is the SMILES notation for 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane?
The canonical SMILES for 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane is CCO[C@H](C)C1CCC(CC(C)[C@@H](C)OCC(C)(C)C)CC1.
What is the InChIKey of 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane?
The InChIKey is KMFIIHDVALKPJZ-PXWOONSHSA-N. The full InChI is InChI=1S/C20H40O2/c1-8-21-17(4)19-11-9-18(10-12-19)13-15(2)16(3)22-14-20(5,6)7/h15-19H,8-14H2,1-7H3/t15?,16-,17-,18?,19?/m1/s1.
What are the key properties of 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane?
1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane has a molecular weight of 312.54 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2,2-dimethylpropoxy)-2-methylbutyl]-4-[(1R)-1-ethoxyethyl]cyclohexane is sourced from PubChem (CID 134285356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).