[5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane

C23H40O2Si — CID 25227989

IUPAC[5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=CCCC1(CCC=C)C=C(OC)C=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H40O2Si/c1-10-12-14-23(15-13-11-2)17-21(24-9)16-22(23)25-26(18(3)4,19(5)6)20(7)8/h10-11,16-20H,1-2,12-15H2,3-9H3
InChIKeySXRKGDYPKYXSNN-UHFFFAOYSA-N
MW376.66 g/mol
LogP7.53
Rot. Bonds12

About [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane

[5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 25227989) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID25227989
Molecular FormulaC23H40O2Si
Molecular Weight376.66 g/mol
Exact Mass376.28
IUPAC Name[5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=CCCC1(CCC=C)C=C(OC)C=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H40O2Si/c1-10-12-14-23(15-13-11-2)17-21(24-9)16-22(23)25-26(18(3)4,19(5)6)20(7)8/h10-11,16-20H,1-2,12-15H2,3-9H3
InChIKeySXRKGDYPKYXSNN-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane
CID 135070283
Cyclopenta-1,4-dien-1-yl-(2,4-ditert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
CID 22555725
[3-Methoxy-2-methyl-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
CID 25227867
[3-Methoxy-5,5-bis(prop-2-enyl)cyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
CID 25229506

Frequently Asked Questions

What is the IUPAC name of [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane (CID 25227989) is [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane is C=CCCC1(CCC=C)C=C(OC)C=C1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is SXRKGDYPKYXSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O2Si/c1-10-12-14-23(15-13-11-2)17-21(24-9)16-22(23)25-26(18(3)4,19(5)6)20(7)8/h10-11,16-20H,1-2,12-15H2,3-9H3.
What are the key properties of [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane?
[5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 376.66 g/mol, XLogP of 7.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 25227989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).