(4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one

C31H48O6 — CID 24796377

About (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one

(4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one (PubChem CID 24796377) has the molecular formula C31H48O6 and a molecular weight of 516.72 g/mol. Its IUPAC name is (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one.

Molecular Properties

• Compound Name: (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one
• PubChem CID: 24796377
• Molecular Formula: C31H48O6
• Molecular Weight: 516.72 g/mol
• Exact Mass: 516.35
• IUPAC Name: (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one
• SMILES: COCOc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CCC[C@H](C)C(=O)[C@@H](C=C(C)C)OCOC)O2
• InChI: InChI=1S/C31H48O6/c1-22(2)17-28(36-21-34-8)29(32)24(4)13-9-11-23(3)12-10-15-31(6)16-14-26-19-27(35-20-33-7)18-25(5)30(26)37-31/h12,17-19,24,28H,9-11,13-16,20-21H2,1-8H3/b23-12+/t24-,28+,31+/m0/s1
• InChIKey: QFYWKSOWILFUGV-JHVDWCNTSA-N
• XLogP: 7.12
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.72
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one?

The IUPAC name of (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one (CID 24796377) is (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one.

What is the SMILES notation for (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one?

The canonical SMILES for (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one is COCOc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CCC[C@H](C)C(=O)[C@@H](C=C(C)C)OCOC)O2.

What is the InChIKey of (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one?

The InChIKey is QFYWKSOWILFUGV-JHVDWCNTSA-N. The full InChI is InChI=1S/C31H48O6/c1-22(2)17-28(36-21-34-8)29(32)24(4)13-9-11-23(3)12-10-15-31(6)16-14-26-19-27(35-20-33-7)18-25(5)30(26)37-31/h12,17-19,24,28H,9-11,13-16,20-21H2,1-8H3/b23-12+/t24-,28+,31+/m0/s1.

What are the key properties of (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one?

(4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one has a molecular weight of 516.72 g/mol, XLogP of 7.12, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6S,10E)-4-(methoxymethoxy)-13-[(2R)-6-(methoxymethoxy)-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one is sourced from PubChem (CID 24796377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).