methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione

C27H48O7 — CID 143150268

IUPACmethanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCC1=C\[C@H](CO[C@H]2CCC[C@@H](C)O2)[C@@H](C)OC(=O)CCCCCC[C@@H](C)C(=O)\C=C\1.CO.CO
InChIInChI=1S/C25H40O5.2CH4O/c1-18-14-15-23(26)19(2)10-7-5-6-8-12-24(27)30-21(4)22(16-18)17-28-25-13-9-11-20(3)29-25;2*1-2/h14-16,19-22,25H,5-13,17H2,1-4H3;2*2H,1H3/b15-14+,18-16+;;/t19-,20-,21-,22-,25-;;/m1../s1
InChIKeyVKBOLCNHVAMHLZ-AVLCHQBQSA-N
MW484.67 g/mol
LogP4.74
Rot. Bonds3

About methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione

methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione (PubChem CID 143150268) has the molecular formula C27H48O7 and a molecular weight of 484.67 g/mol. Its IUPAC name is methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione.

Molecular Properties

Compound Namemethanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione
PubChem CID143150268
Molecular FormulaC27H48O7
Molecular Weight484.67 g/mol
Exact Mass484.34
IUPAC Namemethanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCC1=C\[C@H](CO[C@H]2CCC[C@@H](C)O2)[C@@H](C)OC(=O)CCCCCC[C@@H](C)C(=O)\C=C\1.CO.CO
InChIInChI=1S/C25H40O5.2CH4O/c1-18-14-15-23(26)19(2)10-7-5-6-8-12-24(27)30-21(4)22(16-18)17-28-25-13-9-11-20(3)29-25;2*1-2/h14-16,19-22,25H,5-13,17H2,1-4H3;2*2H,1H3/b15-14+,18-16+;;/t19-,20-,21-,22-,25-;;/m1../s1
InChIKeyVKBOLCNHVAMHLZ-AVLCHQBQSA-N
XLogP4.74
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The IUPAC name of methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione (CID 143150268) is methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione.
What is the SMILES notation for methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The canonical SMILES for methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione is CC1=C\[C@H](CO[C@H]2CCC[C@@H](C)O2)[C@@H](C)OC(=O)CCCCCC[C@@H](C)C(=O)\C=C\1.CO.CO.
What is the InChIKey of methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The InChIKey is VKBOLCNHVAMHLZ-AVLCHQBQSA-N. The full InChI is InChI=1S/C25H40O5.2CH4O/c1-18-14-15-23(26)19(2)10-7-5-6-8-12-24(27)30-21(4)22(16-18)17-28-25-13-9-11-20(3)29-25;2*1-2/h14-16,19-22,25H,5-13,17H2,1-4H3;2*2H,1H3/b15-14+,18-16+;;/t19-,20-,21-,22-,25-;;/m1../s1.
What are the key properties of methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione?
methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione has a molecular weight of 484.67 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(9R,11E,13E,15R,16R)-9,13,16-trimethyl-15-[[(2R,6R)-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione is sourced from PubChem (CID 143150268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).