3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene

C20H32Si — CID 15049571

IUPAC3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
SMILESCC(C)=CCCC1=CC[Si]2(CC=C(CCC=C(C)C)C2)C1
InChIInChI=1S/C20H32Si/c1-17(2)7-5-9-19-11-13-21(15-19)14-12-20(16-21)10-6-8-18(3)4/h7-8,11-12H,5-6,9-10,13-16H2,1-4H3
InChIKeyNKNWUBQALIMCEX-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.81
Rot. Bonds6

About 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene

3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene (PubChem CID 15049571) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene.

Molecular Properties

Compound Name3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
PubChem CID15049571
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Name3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
SMILESCC(C)=CCCC1=CC[Si]2(CC=C(CCC=C(C)C)C2)C1
InChIInChI=1S/C20H32Si/c1-17(2)7-5-9-19-11-13-21(15-19)14-12-20(16-21)10-6-8-18(3)4/h7-8,11-12H,5-6,9-10,13-16H2,1-4H3
InChIKeyNKNWUBQALIMCEX-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Silane, cyclopentenyltrimethyl-
CID 580560
((2E)-3,7-Dimethyl-2,6-octadien-1-yl)trimethylsilane
CID 10954825
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
(4,5-Dimethyl-2-methylidenehex-4-enyl)-trimethylsilane
CID 12023816
(2,4-Dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
CID 134857856
2-(Cyclopenten-1-yl)ethyl-trimethylsilane
CID 139263552
Cyclopentene, 1-trimethylsilyl-2-methyl-4-methylene-
CID 552257
Silane, (1-cyclopenten-1-ylmethyl)trimethyl-
CID 553182
Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 601539
trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane
CID 11431062
trimethyl-[(E)-2-methylhept-2-enyl]silane
CID 12661442
[(2Z)-3,7-dimethylocta-2,6-dienyl]-trimethylsilane
CID 12663711

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene?
The IUPAC name of 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene (CID 15049571) is 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene.
What is the SMILES notation for 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene?
The canonical SMILES for 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene is CC(C)=CCCC1=CC[Si]2(CC=C(CCC=C(C)C)C2)C1.
What is the InChIKey of 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene?
The InChIKey is NKNWUBQALIMCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-17(2)7-5-9-19-11-13-21(15-19)14-12-20(16-21)10-6-8-18(3)4/h7-8,11-12H,5-6,9-10,13-16H2,1-4H3.
What are the key properties of 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene?
3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene has a molecular weight of 300.56 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene is sourced from PubChem (CID 15049571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).