(7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene

C18H19O5P — CID 11198781

IUPAC(7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene
SMILESCC(C)Op1oc2cccc3c2c2c(cccc2o1)O[C@@H](C)CO3
InChIInChI=1S/C18H19O5P/c1-11(2)21-24-22-15-8-4-6-13-17(15)18-14(20-12(3)10-19-13)7-5-9-16(18)23-24/h4-9,11-12H,10H2,1-3H3/t12-,24?/m0/s1
InChIKeyOALXNOOFCLEPKV-JMSDCMLSSA-N
MW346.32 g/mol
LogP5.29
Rot. Bonds2

About (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene

(7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene (PubChem CID 11198781) has the molecular formula C18H19O5P and a molecular weight of 346.32 g/mol. Its IUPAC name is (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene.

Molecular Properties

Compound Name(7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene
PubChem CID11198781
Molecular FormulaC18H19O5P
Molecular Weight346.32 g/mol
Exact Mass346.10
IUPAC Name(7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene
SMILESCC(C)Op1oc2cccc3c2c2c(cccc2o1)O[C@@H](C)CO3
InChIInChI=1S/C18H19O5P/c1-11(2)21-24-22-15-8-4-6-13-17(15)18-14(20-12(3)10-19-13)7-5-9-16(18)23-24/h4-9,11-12H,10H2,1-3H3/t12-,24?/m0/s1
InChIKeyOALXNOOFCLEPKV-JMSDCMLSSA-N
XLogP5.29
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.32
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene with MolForge

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Related Compounds

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3-methyl-2,3-dihydro-1,4-benzodioxepin-5-one
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2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
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5-bromo-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 14867663
triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane
CID 177440251
3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole
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6-heptyl-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 59545571
(2S)-2-methyl-2,3-dihydro-1-benzofuran
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6-bromo-7-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene?
The IUPAC name of (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene (CID 11198781) is (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene.
What is the SMILES notation for (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene?
The canonical SMILES for (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene is CC(C)Op1oc2cccc3c2c2c(cccc2o1)O[C@@H](C)CO3.
What is the InChIKey of (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene?
The InChIKey is OALXNOOFCLEPKV-JMSDCMLSSA-N. The full InChI is InChI=1S/C18H19O5P/c1-11(2)21-24-22-15-8-4-6-13-17(15)18-14(20-12(3)10-19-13)7-5-9-16(18)23-24/h4-9,11-12H,10H2,1-3H3/t12-,24?/m0/s1.
What are the key properties of (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene?
(7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene has a molecular weight of 346.32 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-16-propan-2-yloxy-6,9,15,17-tetraoxa-16-phosphatetracyclo[8.7.2.05,18.014,19]nonadeca-1(18),2,4,10,12,14(19)-hexaene is sourced from PubChem (CID 11198781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).