2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid

C9H16O3 — CID 154927365

IUPAC2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
SMILESCC1CC(CC(=O)O)C[C@@H](C)O1
InChIInChI=1S/C9H16O3/c1-6-3-8(5-9(10)11)4-7(2)12-6/h6-8H,3-5H2,1-2H3,(H,10,11)/t6-,7?,8?/m1/s1
InChIKeyBKTNOWDCQOFYEY-JECWYVHBSA-N
MW172.22 g/mol
LogP1.66
Rot. Bonds2

About 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid

2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid (PubChem CID 154927365) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
PubChem CID154927365
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
SMILESCC1CC(CC(=O)O)C[C@@H](C)O1
InChIInChI=1S/C9H16O3/c1-6-3-8(5-9(10)11)4-7(2)12-6/h6-8H,3-5H2,1-2H3,(H,10,11)/t6-,7?,8?/m1/s1
InChIKeyBKTNOWDCQOFYEY-JECWYVHBSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-6-methyloxan-2-yl)acetic acid
CID 143247678
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618204
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
CID 67212704
2-[(2S,4R,6S)-6-methyl-4-(methylamino)oxan-2-yl]acetic acid
CID 143332781
N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]ethanamine
CID 165458731
2-(2,6-dimethyloxan-4-yl)ethyl acetate
CID 134539061
2-(3-acetamidocyclobutyl)acetic acid
CID 154928575
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
2-(2,6-dimethyloxan-4-yl)-N-(2,2-dimethyl-4-oxopentan-3-yl)acetamide;ethane
CID 145466127
2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid
CID 110835673

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid?
The IUPAC name of 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid (CID 154927365) is 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid is CC1CC(CC(=O)O)C[C@@H](C)O1.
What is the InChIKey of 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid?
The InChIKey is BKTNOWDCQOFYEY-JECWYVHBSA-N. The full InChI is InChI=1S/C9H16O3/c1-6-3-8(5-9(10)11)4-7(2)12-6/h6-8H,3-5H2,1-2H3,(H,10,11)/t6-,7?,8?/m1/s1.
What are the key properties of 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid?
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid has a molecular weight of 172.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid is sourced from PubChem (CID 154927365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).