(2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid

C14H26O4 — CID 69434929

IUPAC(2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid
SMILESCC(C)C1([C@H](OCCO)C(=O)O)CCC[C@@H](C)C1
InChIInChI=1S/C14H26O4/c1-10(2)14(6-4-5-11(3)9-14)12(13(16)17)18-8-7-15/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t11-,12-,14?/m1/s1
InChIKeyBWMCHFLLIQJYEO-QAYQGLBKSA-N
MW258.36 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid

(2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid (PubChem CID 69434929) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid
PubChem CID69434929
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid
SMILESCC(C)C1([C@H](OCCO)C(=O)O)CCC[C@@H](C)C1
InChIInChI=1S/C14H26O4/c1-10(2)14(6-4-5-11(3)9-14)12(13(16)17)18-8-7-15/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t11-,12-,14?/m1/s1
InChIKeyBWMCHFLLIQJYEO-QAYQGLBKSA-N
XLogP2.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid?
The IUPAC name of (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid (CID 69434929) is (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid.
What is the SMILES notation for (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid?
The canonical SMILES for (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid is CC(C)C1([C@H](OCCO)C(=O)O)CCC[C@@H](C)C1.
What is the InChIKey of (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid?
The InChIKey is BWMCHFLLIQJYEO-QAYQGLBKSA-N. The full InChI is InChI=1S/C14H26O4/c1-10(2)14(6-4-5-11(3)9-14)12(13(16)17)18-8-7-15/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t11-,12-,14?/m1/s1.
What are the key properties of (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid?
(2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxyethoxy)-2-[(3R)-3-methyl-1-propan-2-ylcyclohexyl]acetic acid is sourced from PubChem (CID 69434929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).