(2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid

C17H32O3 — CID 160616828

IUPAC(2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid
SMILESCC(OC(C)(C)C[C@@H](C)C(=O)O)C1CCCC(C)(C)C1
InChIInChI=1S/C17H32O3/c1-12(15(18)19)10-17(5,6)20-13(2)14-8-7-9-16(3,4)11-14/h12-14H,7-11H2,1-6H3,(H,18,19)/t12-,13?,14?/m1/s1
InChIKeyRGEXIZQCIQUTIO-IYXRBSQSSA-N
MW284.44 g/mol
LogP4.50
Rot. Bonds6

About (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid

(2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid (PubChem CID 160616828) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid
PubChem CID160616828
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid
SMILESCC(OC(C)(C)C[C@@H](C)C(=O)O)C1CCCC(C)(C)C1
InChIInChI=1S/C17H32O3/c1-12(15(18)19)10-17(5,6)20-13(2)14-8-7-9-16(3,4)11-14/h12-14H,7-11H2,1-6H3,(H,18,19)/t12-,13?,14?/m1/s1
InChIKeyRGEXIZQCIQUTIO-IYXRBSQSSA-N
XLogP4.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 68266447
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CID 90840951
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CID 91016258
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CID 170849103
CID 170849103
CID 68549923
CID 68549923
CID 170841993
CID 170841993
CID 170849102
CID 170849102
CID 12022013
CID 12022013
CID 12022014
CID 12022014
CID 18350336
CID 18350336
CID 20405466
CID 20405466

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid?
The IUPAC name of (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid (CID 160616828) is (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid.
What is the SMILES notation for (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid?
The canonical SMILES for (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid is CC(OC(C)(C)C[C@@H](C)C(=O)O)C1CCCC(C)(C)C1.
What is the InChIKey of (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid?
The InChIKey is RGEXIZQCIQUTIO-IYXRBSQSSA-N. The full InChI is InChI=1S/C17H32O3/c1-12(15(18)19)10-17(5,6)20-13(2)14-8-7-9-16(3,4)11-14/h12-14H,7-11H2,1-6H3,(H,18,19)/t12-,13?,14?/m1/s1.
What are the key properties of (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid?
(2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[1-(3,3-dimethylcyclohexyl)ethoxy]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 160616828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).