(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one

C15H26O4 — CID 134858310

IUPAC(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one
SMILESC[C@H]1CCCCC[C@H]2OC(C)(C)O[C@H]2CCC(=O)O1
InChIInChI=1S/C15H26O4/c1-11-7-5-4-6-8-12-13(9-10-14(16)17-11)19-15(2,3)18-12/h11-13H,4-10H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyFAGYCRXUSXLIID-XQQFMLRXSA-N
MW270.37 g/mol
LogP3.18
Rot. Bonds

About (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one

(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one (PubChem CID 134858310) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one.

Molecular Properties

Compound Name(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one
PubChem CID134858310
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one
SMILESC[C@H]1CCCCC[C@H]2OC(C)(C)O[C@H]2CCC(=O)O1
InChIInChI=1S/C15H26O4/c1-11-7-5-4-6-8-12-13(9-10-14(16)17-11)19-15(2,3)18-12/h11-13H,4-10H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyFAGYCRXUSXLIID-XQQFMLRXSA-N
XLogP3.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one with MolForge

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Related Compounds

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
CID 71587572
methyl 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl]propanoate
CID 49773801
Therlanubutanolide A
CID 156582491
(5R)-5-[(2R)-5-oxooxolan-2-yl]oxolan-2-one
CID 11062821
1,3-Dioxolane-2,2-dipropanoic acid, diethyl ester
CID 285696
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl Octanoate
CID 11230661
Ethyl 4-(oxolan-2-yl)butanoate
CID 13763957
Methyl 5-(3-Methoxy-3-oxopropyl)tetrahydrofuran-2-carboxylate
CID 44632342
Methyl 2-methyl-1,3-dioxolane-2-butanoate
CID 3310317
1,3-Dioxolane-2,2-dipropanoic acid, dimethyl ester
CID 594346
5-(5-Oxooxolan-2-yl)oxolan-2-one
CID 13700970
(5R)-5-butyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10868459

Frequently Asked Questions

What is the IUPAC name of (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one?
The IUPAC name of (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one (CID 134858310) is (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one.
What is the SMILES notation for (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one?
The canonical SMILES for (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one is C[C@H]1CCCCC[C@H]2OC(C)(C)O[C@H]2CCC(=O)O1.
What is the InChIKey of (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one?
The InChIKey is FAGYCRXUSXLIID-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H26O4/c1-11-7-5-4-6-8-12-13(9-10-14(16)17-11)19-15(2,3)18-12/h11-13H,4-10H2,1-3H3/t11-,12+,13-/m0/s1.
What are the key properties of (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one?
(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one has a molecular weight of 270.37 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one is sourced from PubChem (CID 134858310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).