3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane

C34H52OSi — CID 18622624

IUPAC3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane
SMILESCCC(CCO[Si](C)(C)C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C34H52OSi/c1-5-34(22-23-35-36(2,3)4,32-28-18-10-6-14-24(28)25-15-7-11-19-29(25)32)33-30-20-12-8-16-26(30)27-17-9-13-21-31(27)33/h6,8,10,12,14,16,18,20,24-33H,5,7,9,11,13,15,17,19,21-23H2,1-4H3
InChIKeyZITLPRBISLVHEG-UHFFFAOYSA-N
MW504.88 g/mol
LogP9.21
Rot. Bonds7

About 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane

3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane (PubChem CID 18622624) has the molecular formula C34H52OSi and a molecular weight of 504.88 g/mol. Its IUPAC name is 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane.

Molecular Properties

Compound Name3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane
PubChem CID18622624
Molecular FormulaC34H52OSi
Molecular Weight504.88 g/mol
Exact Mass504.38
IUPAC Name3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane
SMILESCCC(CCO[Si](C)(C)C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C34H52OSi/c1-5-34(22-23-35-36(2,3)4,32-28-18-10-6-14-24(28)25-15-7-11-19-29(25)32)33-30-20-12-8-16-26(30)27-17-9-13-21-31(27)33/h6,8,10,12,14,16,18,20,24-33H,5,7,9,11,13,15,17,19,21-23H2,1-4H3
InChIKeyZITLPRBISLVHEG-UHFFFAOYSA-N
XLogP9.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.88
LogP ≤ 59.21
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(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane?
The IUPAC name of 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane (CID 18622624) is 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane.
What is the SMILES notation for 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane?
The canonical SMILES for 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane is CCC(CCO[Si](C)(C)C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21.
What is the InChIKey of 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane?
The InChIKey is ZITLPRBISLVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52OSi/c1-5-34(22-23-35-36(2,3)4,32-28-18-10-6-14-24(28)25-15-7-11-19-29(25)32)33-30-20-12-8-16-26(30)27-17-9-13-21-31(27)33/h6,8,10,12,14,16,18,20,24-33H,5,7,9,11,13,15,17,19,21-23H2,1-4H3.
What are the key properties of 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane?
3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane has a molecular weight of 504.88 g/mol, XLogP of 9.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-trimethylsilane is sourced from PubChem (CID 18622624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).