(1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol

C15H26O7 — CID 10519586

IUPAC(1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
SMILESCO[C@H]1O[C@H](C)[C@H]2O[C@@]3(OC)CCCC[C@]3(OC)O[C@@H]2[C@@H]1O
InChIInChI=1S/C15H26O7/c1-9-11-12(10(16)13(17-2)20-9)22-15(19-4)8-6-5-7-14(15,18-3)21-11/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,14+,15+/m1/s1
InChIKeyPPGMYUJZUMCDLA-NNEGLZRWSA-N
MW318.37 g/mol
LogP0.78
Rot. Bonds3

About (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol

(1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol (PubChem CID 10519586) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol.

Molecular Properties

Compound Name(1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
PubChem CID10519586
Molecular FormulaC15H26O7
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name(1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
SMILESCO[C@H]1O[C@H](C)[C@H]2O[C@@]3(OC)CCCC[C@]3(OC)O[C@@H]2[C@@H]1O
InChIInChI=1S/C15H26O7/c1-9-11-12(10(16)13(17-2)20-9)22-15(19-4)8-6-5-7-14(15,18-3)21-11/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,14+,15+/m1/s1
InChIKeyPPGMYUJZUMCDLA-NNEGLZRWSA-N
XLogP0.78
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol with MolForge

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Related Compounds

(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol
CID 10590599
(3aS,4R,6S)-6-methoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 163285390
(1R,3S,4S,6R,7R,8S,10S)-1,10-dimethoxy-4-methyl-6-phenylmethoxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
CID 162408764
(1S,3S,4S,6S,7R,8S,10S)-6-ethylsulfanyl-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
CID 10783947
(3aR,4R,4aS,10aS,11S,11aS)-4,5a,9a-trimethoxy-2,2-dimethyl-3a,4,4a,6,7,8,9,10a,11,11a-decahydro-[1,3]dioxolo[4,5-b]oxanthren-11-ol
CID 12016259
(3aR,4S,6R,7S,7aS)-2-ethoxy-6-methoxy-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 14752595
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2S,3S,4aR,5R,7S,8R,8aR)-5-(hydroxymethyl)-2,3,7-trimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-ol
CID 10828595
(3aS,6S)-6,7-dimethoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 46782216
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol?
The IUPAC name of (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol (CID 10519586) is (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol.
What is the SMILES notation for (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol?
The canonical SMILES for (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol is CO[C@H]1O[C@H](C)[C@H]2O[C@@]3(OC)CCCC[C@]3(OC)O[C@@H]2[C@@H]1O.
What is the InChIKey of (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol?
The InChIKey is PPGMYUJZUMCDLA-NNEGLZRWSA-N. The full InChI is InChI=1S/C15H26O7/c1-9-11-12(10(16)13(17-2)20-9)22-15(19-4)8-6-5-7-14(15,18-3)21-11/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,14+,15+/m1/s1.
What are the key properties of (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol?
(1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol has a molecular weight of 318.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R,6S,7S,8R,10S)-1,6,10-trimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol is sourced from PubChem (CID 10519586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).