3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane

C26H40OSi — CID 18622745

IUPAC3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane
SMILESCCC(CCO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C26H40OSi/c1-5-26(18-19-27-28(2,3)4,24-16-14-20-10-6-8-12-22(20)24)25-17-15-21-11-7-9-13-23(21)25/h6-13,20-25H,5,14-19H2,1-4H3
InChIKeyPFONMLVTRRTPTN-UHFFFAOYSA-N
MW396.69 g/mol
LogP7.16
Rot. Bonds7

About 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane

3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane (PubChem CID 18622745) has the molecular formula C26H40OSi and a molecular weight of 396.69 g/mol. Its IUPAC name is 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane.

Molecular Properties

Compound Name3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane
PubChem CID18622745
Molecular FormulaC26H40OSi
Molecular Weight396.69 g/mol
Exact Mass396.28
IUPAC Name3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane
SMILESCCC(CCO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C26H40OSi/c1-5-26(18-19-27-28(2,3)4,24-16-14-20-10-6-8-12-22(20)24)25-17-15-21-11-7-9-13-23(21)25/h6-13,20-25H,5,14-19H2,1-4H3
InChIKeyPFONMLVTRRTPTN-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane?
The IUPAC name of 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane (CID 18622745) is 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane.
What is the SMILES notation for 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane?
The canonical SMILES for 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane is CCC(CCO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane?
The InChIKey is PFONMLVTRRTPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40OSi/c1-5-26(18-19-27-28(2,3)4,24-16-14-20-10-6-8-12-22(20)24)25-17-15-21-11-7-9-13-23(21)25/h6-13,20-25H,5,14-19H2,1-4H3.
What are the key properties of 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane?
3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane has a molecular weight of 396.69 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-trimethylsilane is sourced from PubChem (CID 18622745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).