(3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane

C28H44O2Si — CID 633996

About (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane

(3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane (PubChem CID 633996) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane.

Molecular Properties

• Compound Name: (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane
• PubChem CID: 633996
• Molecular Formula: C28H44O2Si
• Molecular Weight: 440.74 g/mol
• Exact Mass: 440.31
• IUPAC Name: (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane
• SMILES: C=CC[Si](C)(C)Oc1cc(CCCCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
• InChI: InChI=1S/C28H44O2Si/c1-8-10-11-12-13-14-22-19-25-27(26(20-22)30-31(6,7)17-9-2)23-18-21(3)15-16-24(23)28(4,5)29-25/h9,18-20,23-24H,2,8,10-17H2,1,3-7H3
• InChIKey: AAVBSMFDWCNRQH-UHFFFAOYSA-N
• XLogP: 8.58
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.74
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane?

The IUPAC name of (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane (CID 633996) is (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane.

What is the SMILES notation for (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane?

The canonical SMILES for (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)Oc1cc(CCCCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2.

What is the InChIKey of (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane?

The InChIKey is AAVBSMFDWCNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-8-10-11-12-13-14-22-19-25-27(26(20-22)30-31(6,7)17-9-2)23-18-21(3)15-16-24(23)28(4,5)29-25/h9,18-20,23-24H,2,8,10-17H2,1,3-7H3.

What are the key properties of (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane?

(3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane has a molecular weight of 440.74 g/mol, XLogP of 8.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl)oxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 633996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).