(3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane

C16H22Si — CID 173079928

IUPAC(3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane
SMILESCCCCC1=CC(=[Si](C)C)C=C1C1=CC=CC1
InChIInChI=1S/C16H22Si/c1-4-5-8-14-11-15(17(2)3)12-16(14)13-9-6-7-10-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyHMGQZDAPMHMVFV-UHFFFAOYSA-N
MW242.44 g/mol
LogP4.44
Rot. Bonds4

About (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane

(3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane (PubChem CID 173079928) has the molecular formula C16H22Si and a molecular weight of 242.44 g/mol. Its IUPAC name is (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane.

Molecular Properties

Compound Name(3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane
PubChem CID173079928
Molecular FormulaC16H22Si
Molecular Weight242.44 g/mol
Exact Mass242.15
IUPAC Name(3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane
SMILESCCCCC1=CC(=[Si](C)C)C=C1C1=CC=CC1
InChIInChI=1S/C16H22Si/c1-4-5-8-14-11-15(17(2)3)12-16(14)13-9-6-7-10-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyHMGQZDAPMHMVFV-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
2-dodecylcyclohexa-2,4-dien-1-one
CID 67242376
3-butyl-1,2-dimethyl-5H-quinoline
CID 174942679
(6Z)-1-cyclopenta-1,3-dien-1-yl-6-propylidenecyclohexa-1,3-diene
CID 163899779
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597
1-nonoxycyclopenta-1,3-diene
CID 175032458
3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
CID 101202010
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
CID 173207621
CID 173207621
4,6-dibutyl-3-fluorocyclohexa-3,5-diene-1,2-dione
CID 69498549

Frequently Asked Questions

What is the IUPAC name of (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
The IUPAC name of (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane (CID 173079928) is (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane.
What is the SMILES notation for (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
The canonical SMILES for (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane is CCCCC1=CC(=[Si](C)C)C=C1C1=CC=CC1.
What is the InChIKey of (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
The InChIKey is HMGQZDAPMHMVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Si/c1-4-5-8-14-11-15(17(2)3)12-16(14)13-9-6-7-10-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3.
What are the key properties of (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane?
(3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane has a molecular weight of 242.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane is sourced from PubChem (CID 173079928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).