(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one

C20H34O4 — CID 129405766

IUPAC(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
SMILESC[C@@]1(CCCCCCCCCC[C@]2(C)CCOC2=O)CCOC1=O
InChIInChI=1S/C20H34O4/c1-19(13-15-23-17(19)21)11-9-7-5-3-4-6-8-10-12-20(2)14-16-24-18(20)22/h3-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyQITSLJJMWJACSS-WOJBJXKFSA-N
MW338.49 g/mol
LogP4.79
Rot. Bonds11

About (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one

(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one (PubChem CID 129405766) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
PubChem CID129405766
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
SMILESC[C@@]1(CCCCCCCCCC[C@]2(C)CCOC2=O)CCOC1=O
InChIInChI=1S/C20H34O4/c1-19(13-15-23-17(19)21)11-9-7-5-3-4-6-8-10-12-20(2)14-16-24-18(20)22/h3-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyQITSLJJMWJACSS-WOJBJXKFSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one with MolForge

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Related Compounds

3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923
3-methyl-3-[(Z)-5-methylhex-2-enyl]oxolan-2-one
CID 67952223
3-amino-3-pentyloxolan-2-one
CID 174336669
3-ethyl-3-methyloxolan-2-one;3-methylideneoxolan-2-one
CID 158117388
(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456
3-[(3-methyl-2-oxooxolan-3-yl)methoxysulfonyl]propane-1-sulfonic acid
CID 50939310
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
CID 95003018
3-methyl-3-prop-2-enyloxepan-2-one
CID 174899339

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one?
The IUPAC name of (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one (CID 129405766) is (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one?
The canonical SMILES for (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one is C[C@@]1(CCCCCCCCCC[C@]2(C)CCOC2=O)CCOC1=O.
What is the InChIKey of (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one?
The InChIKey is QITSLJJMWJACSS-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H34O4/c1-19(13-15-23-17(19)21)11-9-7-5-3-4-6-8-10-12-20(2)14-16-24-18(20)22/h3-16H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one?
(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one has a molecular weight of 338.49 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one is sourced from PubChem (CID 129405766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).