(3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane

C18H26Si — CID 173384763

IUPAC(3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane
SMILESCCCC1=C(C(C)CC)C=C([SiH2]c2ccccc2)C1
InChIInChI=1S/C18H26Si/c1-4-9-15-12-17(13-18(15)14(3)5-2)19-16-10-7-6-8-11-16/h6-8,10-11,13-14H,4-5,9,12,19H2,1-3H3
InChIKeyYLUVQCFGAKXBBO-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.91
Rot. Bonds6

About (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane

(3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane (PubChem CID 173384763) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane.

Molecular Properties

Compound Name(3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane
PubChem CID173384763
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name(3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane
SMILESCCCC1=C(C(C)CC)C=C([SiH2]c2ccccc2)C1
InChIInChI=1S/C18H26Si/c1-4-9-15-12-17(13-18(15)14(3)5-2)19-16-10-7-6-8-11-16/h6-8,10-11,13-14H,4-5,9,12,19H2,1-3H3
InChIKeyYLUVQCFGAKXBBO-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
The IUPAC name of (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane (CID 173384763) is (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane.
What is the SMILES notation for (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
The canonical SMILES for (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane is CCCC1=C(C(C)CC)C=C([SiH2]c2ccccc2)C1.
What is the InChIKey of (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
The InChIKey is YLUVQCFGAKXBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-4-9-15-12-17(13-18(15)14(3)5-2)19-16-10-7-6-8-11-16/h6-8,10-11,13-14H,4-5,9,12,19H2,1-3H3.
What are the key properties of (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
(3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane has a molecular weight of 270.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane is sourced from PubChem (CID 173384763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).