(5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine

C30H52Si4 — CID 102485704

IUPAC(5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine
SMILESCC(C)[Si@@]1(C)CC[Si@@](C)(C(C)C)c2ccccc2[Si@](C)(C(C)C)[Si@](C)(C(C)C)c2ccccc21
InChIInChI=1S/C30H52Si4/c1-23(2)31(9)21-22-32(10,24(3)4)28-18-14-16-20-30(28)34(12,26(7)8)33(11,25(5)6)29-19-15-13-17-27(29)31/h13-20,23-26H,21-22H2,1-12H3/t31-,32+,33-,34+
InChIKeyRWWYKAZDQUMOMB-WKKVWOBLSA-N
MW525.09 g/mol
LogP7.26
Rot. Bonds4

About (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine

(5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine (PubChem CID 102485704) has the molecular formula C30H52Si4 and a molecular weight of 525.09 g/mol. Its IUPAC name is (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine.

Molecular Properties

Compound Name(5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine
PubChem CID102485704
Molecular FormulaC30H52Si4
Molecular Weight525.09 g/mol
Exact Mass524.31
IUPAC Name(5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine
SMILESCC(C)[Si@@]1(C)CC[Si@@](C)(C(C)C)c2ccccc2[Si@](C)(C(C)C)[Si@](C)(C(C)C)c2ccccc21
InChIInChI=1S/C30H52Si4/c1-23(2)31(9)21-22-32(10,24(3)4)28-18-14-16-20-30(28)34(12,26(7)8)33(11,25(5)6)29-19-15-13-17-27(29)31/h13-20,23-26H,21-22H2,1-12H3/t31-,32+,33-,34+
InChIKeyRWWYKAZDQUMOMB-WKKVWOBLSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.09
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine?
The IUPAC name of (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine (CID 102485704) is (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine.
What is the SMILES notation for (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine?
The canonical SMILES for (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine is CC(C)[Si@@]1(C)CC[Si@@](C)(C(C)C)c2ccccc2[Si@](C)(C(C)C)[Si@](C)(C(C)C)c2ccccc21.
What is the InChIKey of (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine?
The InChIKey is RWWYKAZDQUMOMB-WKKVWOBLSA-N. The full InChI is InChI=1S/C30H52Si4/c1-23(2)31(9)21-22-32(10,24(3)4)28-18-14-16-20-30(28)34(12,26(7)8)33(11,25(5)6)29-19-15-13-17-27(29)31/h13-20,23-26H,21-22H2,1-12H3/t31-,32+,33-,34+.
What are the key properties of (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine?
(5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine has a molecular weight of 525.09 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,13R,14S)-5,8,13,14-tetramethyl-5,8,13,14-tetra(propan-2-yl)-6,7-dihydrobenzo[c][1,2,5,8]benzotetrasilecine is sourced from PubChem (CID 102485704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).