[3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane

C31H62Si — CID 91247046

IUPAC[3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane
SMILESCCCCCC1(C(CC)CCCC(C)C(CC)(CC)[Si](C)(C)C)CC2CC(C)(CC)C21C
InChIInChI=1S/C31H62Si/c1-12-17-18-22-30(24-27-23-28(7,14-3)29(27,30)8)26(13-2)21-19-20-25(6)31(15-4,16-5)32(9,10)11/h25-27H,12-24H2,1-11H3
InChIKeyQAKGIQSCVYJNEG-UHFFFAOYSA-N
MW462.92 g/mol
LogP11.13
Rot. Bonds15

About [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane

[3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane (PubChem CID 91247046) has the molecular formula C31H62Si and a molecular weight of 462.92 g/mol. Its IUPAC name is [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane
PubChem CID91247046
Molecular FormulaC31H62Si
Molecular Weight462.92 g/mol
Exact Mass462.46
IUPAC Name[3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane
SMILESCCCCCC1(C(CC)CCCC(C)C(CC)(CC)[Si](C)(C)C)CC2CC(C)(CC)C21C
InChIInChI=1S/C31H62Si/c1-12-17-18-22-30(24-27-23-28(7,14-3)29(27,30)8)26(13-2)21-19-20-25(6)31(15-4,16-5)32(9,10)11/h25-27H,12-24H2,1-11H3
InChIKeyQAKGIQSCVYJNEG-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.92
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane?
The IUPAC name of [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane (CID 91247046) is [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane.
What is the SMILES notation for [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane?
The canonical SMILES for [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane is CCCCCC1(C(CC)CCCC(C)C(CC)(CC)[Si](C)(C)C)CC2CC(C)(CC)C21C.
What is the InChIKey of [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane?
The InChIKey is QAKGIQSCVYJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62Si/c1-12-17-18-22-30(24-27-23-28(7,14-3)29(27,30)8)26(13-2)21-19-20-25(6)31(15-4,16-5)32(9,10)11/h25-27H,12-24H2,1-11H3.
What are the key properties of [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane?
[3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane has a molecular weight of 462.92 g/mol, XLogP of 11.13, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-8-(6-ethyl-1,6-dimethyl-2-pentyl-2-bicyclo[2.2.0]hexanyl)-4-methyldecan-3-yl]-trimethylsilane is sourced from PubChem (CID 91247046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).