[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane

C12H18OSi — CID 174454684

IUPAC[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane
SMILESC[SiH2]C1(C=C2C=CC=C2)CCCCO1
InChIInChI=1S/C12H18OSi/c1-14-12(8-4-5-9-13-12)10-11-6-2-3-7-11/h2-3,6-7,10H,4-5,8-9,14H2,1H3
InChIKeyJNXIHXRVUVWYNY-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.15
Rot. Bonds2

About [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane

[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane (PubChem CID 174454684) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane.

Molecular Properties

Compound Name[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane
PubChem CID174454684
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane
SMILESC[SiH2]C1(C=C2C=CC=C2)CCCCO1
InChIInChI=1S/C12H18OSi/c1-14-12(8-4-5-9-13-12)10-11-6-2-3-7-11/h2-3,6-7,10H,4-5,8-9,14H2,1H3
InChIKeyJNXIHXRVUVWYNY-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane?
The IUPAC name of [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane (CID 174454684) is [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane.
What is the SMILES notation for [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane?
The canonical SMILES for [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane is C[SiH2]C1(C=C2C=CC=C2)CCCCO1.
What is the InChIKey of [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane?
The InChIKey is JNXIHXRVUVWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-14-12(8-4-5-9-13-12)10-11-6-2-3-7-11/h2-3,6-7,10H,4-5,8-9,14H2,1H3.
What are the key properties of [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane?
[2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane has a molecular weight of 206.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopenta-2,4-dien-1-ylidenemethyl)oxan-2-yl]-methylsilane is sourced from PubChem (CID 174454684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).