[1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane

C38H70O2Si2 — CID 90725697

IUPAC[1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CCCC2C(CCC3CCC4C(O[Si](CC=C)(C(C)C)C(C)C)CCCC34)CCC12)(C(C)C)C(C)C
InChIInChI=1S/C38H70O2Si2/c1-11-25-41(27(3)4,28(5)6)39-37-17-13-15-33-31(21-23-35(33)37)19-20-32-22-24-36-34(32)16-14-18-38(36)40-42(26-12-2,29(7)8)30(9)10/h11-12,27-38H,1-2,13-26H2,3-10H3
InChIKeyNYHRJMMSSXNSON-UHFFFAOYSA-N
MW615.15 g/mol
LogP12.09
Rot. Bonds15

About [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane

[1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane (PubChem CID 90725697) has the molecular formula C38H70O2Si2 and a molecular weight of 615.15 g/mol. Its IUPAC name is [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane.

Molecular Properties

Compound Name[1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
PubChem CID90725697
Molecular FormulaC38H70O2Si2
Molecular Weight615.15 g/mol
Exact Mass614.49
IUPAC Name[1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CCCC2C(CCC3CCC4C(O[Si](CC=C)(C(C)C)C(C)C)CCCC34)CCC12)(C(C)C)C(C)C
InChIInChI=1S/C38H70O2Si2/c1-11-25-41(27(3)4,28(5)6)39-37-17-13-15-33-31(21-23-35(33)37)19-20-32-22-24-36-34(32)16-14-18-38(36)40-42(26-12-2,29(7)8)30(9)10/h11-12,27-38H,1-2,13-26H2,3-10H3
InChIKeyNYHRJMMSSXNSON-UHFFFAOYSA-N
XLogP12.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.15
LogP ≤ 512.09
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-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The IUPAC name of [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane (CID 90725697) is [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane.
What is the SMILES notation for [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The canonical SMILES for [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane is C=CC[Si](OC1CCCC2C(CCC3CCC4C(O[Si](CC=C)(C(C)C)C(C)C)CCCC34)CCC12)(C(C)C)C(C)C.
What is the InChIKey of [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The InChIKey is NYHRJMMSSXNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70O2Si2/c1-11-25-41(27(3)4,28(5)6)39-37-17-13-15-33-31(21-23-35(33)37)19-20-32-22-24-36-34(32)16-14-18-38(36)40-42(26-12-2,29(7)8)30(9)10/h11-12,27-38H,1-2,13-26H2,3-10H3.
What are the key properties of [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
[1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane has a molecular weight of 615.15 g/mol, XLogP of 12.09, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]oxy-di(propan-2-yl)-prop-2-enylsilane is sourced from PubChem (CID 90725697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).