(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol

C14H24O7 — CID 10590599

IUPAC(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol
SMILESCO[C@@]12CCCC[C@@]1(OC)O[C@@H]1[C@@H](O2)[C@H](C)OC(O)[C@@H]1O
InChIInChI=1S/C14H24O7/c1-8-10-11(9(15)12(16)19-8)21-14(18-3)7-5-4-6-13(14,17-2)20-10/h8-12,15-16H,4-7H2,1-3H3/t8-,9+,10-,11-,12?,13+,14+/m0/s1
InChIKeyJNWMSDKERGZHCT-RMDSETHASA-N
MW304.34 g/mol
LogP0.13
Rot. Bonds2

About (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol

(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol (PubChem CID 10590599) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol.

Molecular Properties

Compound Name(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol
PubChem CID10590599
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol
SMILESCO[C@@]12CCCC[C@@]1(OC)O[C@@H]1[C@@H](O2)[C@H](C)OC(O)[C@@H]1O
InChIInChI=1S/C14H24O7/c1-8-10-11(9(15)12(16)19-8)21-14(18-3)7-5-4-6-13(14,17-2)20-10/h8-12,15-16H,4-7H2,1-3H3/t8-,9+,10-,11-,12?,13+,14+/m0/s1
InChIKeyJNWMSDKERGZHCT-RMDSETHASA-N
XLogP0.13
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(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
(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
(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
2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,7-diol
CID 14487703
(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
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
(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
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol?
The IUPAC name of (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) is (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol.
What is the SMILES notation for (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol?
The canonical SMILES for (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol is CO[C@@]12CCCC[C@@]1(OC)O[C@@H]1[C@@H](O2)[C@H](C)OC(O)[C@@H]1O.
What is the InChIKey of (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol?
The InChIKey is JNWMSDKERGZHCT-RMDSETHASA-N. The full InChI is InChI=1S/C14H24O7/c1-8-10-11(9(15)12(16)19-8)21-14(18-3)7-5-4-6-13(14,17-2)20-10/h8-12,15-16H,4-7H2,1-3H3/t8-,9+,10-,11-,12?,13+,14+/m0/s1.
What are the key properties of (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol?
(1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol has a molecular weight of 304.34 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,7R,8S,10R)-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecane-6,7-diol is sourced from PubChem (CID 10590599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).