[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane

C38H62O2Si2 — CID 58630461

IUPAC[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CC2C=CC=CC2C1CCC1C(O[Si](CC=C)(C(C)C)C(C)C)CC2C=CC=CC21)(C(C)C)C(C)C
InChIInChI=1S/C38H62O2Si2/c1-11-23-41(27(3)4,28(5)6)39-37-25-31-17-13-15-19-33(31)35(37)21-22-36-34-20-16-14-18-32(34)26-38(36)40-42(24-12-2,29(7)8)30(9)10/h11-20,27-38H,1-2,21-26H2,3-10H3
InChIKeyQESDZCWCOWRTSM-UHFFFAOYSA-N
MW607.08 g/mol
LogP11.20
Rot. Bonds15

About [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane

[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane (PubChem CID 58630461) has the molecular formula C38H62O2Si2 and a molecular weight of 607.08 g/mol. Its IUPAC name is [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane.

Molecular Properties

Compound Name[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
PubChem CID58630461
Molecular FormulaC38H62O2Si2
Molecular Weight607.08 g/mol
Exact Mass606.43
IUPAC Name[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CC2C=CC=CC2C1CCC1C(O[Si](CC=C)(C(C)C)C(C)C)CC2C=CC=CC21)(C(C)C)C(C)C
InChIInChI=1S/C38H62O2Si2/c1-11-23-41(27(3)4,28(5)6)39-37-25-31-17-13-15-19-33(31)35(37)21-22-36-34-20-16-14-18-32(34)26-38(36)40-42(24-12-2,29(7)8)30(9)10/h11-20,27-38H,1-2,21-26H2,3-10H3
InChIKeyQESDZCWCOWRTSM-UHFFFAOYSA-N
XLogP11.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.08
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The IUPAC name of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane (CID 58630461) is [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane.
What is the SMILES notation for [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The canonical SMILES for [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane is C=CC[Si](OC1CC2C=CC=CC2C1CCC1C(O[Si](CC=C)(C(C)C)C(C)C)CC2C=CC=CC21)(C(C)C)C(C)C.
What is the InChIKey of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The InChIKey is QESDZCWCOWRTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62O2Si2/c1-11-23-41(27(3)4,28(5)6)39-37-25-31-17-13-15-19-33(31)35(37)21-22-36-34-20-16-14-18-32(34)26-38(36)40-42(24-12-2,29(7)8)30(9)10/h11-20,27-38H,1-2,21-26H2,3-10H3.
What are the key properties of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane has a molecular weight of 607.08 g/mol, XLogP of 11.20, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane is sourced from PubChem (CID 58630461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).