methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane

C16H34O5 — CID 159319464

IUPACmethane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane
SMILESC.C.CC1OC2OC3CC(=O)OC3C2O1.CCC.CCC
InChIInChI=1S/C8H10O5.2C3H8.2CH4/c1-3-10-7-6-4(2-5(9)13-6)12-8(7)11-3;2*1-3-2;;/h3-4,6-8H,2H2,1H3;2*3H2,1-2H3;2*1H4
InChIKeyLDOKFIAHGPGKHG-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.89
Rot. Bonds

About methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane

methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane (PubChem CID 159319464) has the molecular formula C16H34O5 and a molecular weight of 306.44 g/mol. Its IUPAC name is methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane.

Molecular Properties

Compound Namemethane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane
PubChem CID159319464
Molecular FormulaC16H34O5
Molecular Weight306.44 g/mol
Exact Mass306.24
IUPAC Namemethane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane
SMILESC.C.CC1OC2OC3CC(=O)OC3C2O1.CCC.CCC
InChIInChI=1S/C8H10O5.2C3H8.2CH4/c1-3-10-7-6-4(2-5(9)13-6)12-8(7)11-3;2*1-3-2;;/h3-4,6-8H,2H2,1H3;2*3H2,1-2H3;2*1H4
InChIKeyLDOKFIAHGPGKHG-UHFFFAOYSA-N
XLogP3.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,3-Glucuronolactone acetonide
CID 436084
alpha-D-Glucofuranuronic acid, 1,2-O-(1-methylethylidene)-, gamma-lactone
CID 7577574
5-Deoxy-1,2-O-isopropylidene-alpha-D-xylo-hexofuranuronic acid gamma lactone
CID 10375517
2,3:5,6-Di-O-isopropylidene-L-gulonolactone
CID 568288
(1S,2R,6R,8S,9R)-4,4-dimethyl-9-(trifluoromethoxy)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 138980615
(3aR,6S,6aR)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 135016864
2,3:5,6-Di-O-isopropylidene-D-mannono-1,4-lactone
CID 9943092
2,3:5,6-Di-O-isopropylidene-L-gulono-1,4-lactone
CID 10923201
(3aR,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11032561
2,3:5,6-Di-O-isopropylidene-D-talonoic acid-1,4-lactone
CID 11311454
(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 12728780
1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-alpha-D-allofuranose
CID 22806636

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane?
The IUPAC name of methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane (CID 159319464) is methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane.
What is the SMILES notation for methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane?
The canonical SMILES for methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane is C.C.CC1OC2OC3CC(=O)OC3C2O1.CCC.CCC.
What is the InChIKey of methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane?
The InChIKey is LDOKFIAHGPGKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5.2C3H8.2CH4/c1-3-10-7-6-4(2-5(9)13-6)12-8(7)11-3;2*1-3-2;;/h3-4,6-8H,2H2,1H3;2*3H2,1-2H3;2*1H4.
What are the key properties of methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane?
methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane has a molecular weight of 306.44 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one;propane is sourced from PubChem (CID 159319464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).