butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane

C14H24OSi — CID 173325081

IUPACbutyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane
SMILESCCCC[SiH2]OC=CC1(C)C=CC(C)=CC1
InChIInChI=1S/C14H24OSi/c1-4-5-12-16-15-11-10-14(3)8-6-13(2)7-9-14/h6-8,10-11H,4-5,9,12,16H2,1-3H3
InChIKeyUDOXQEASHCDCGA-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.73
Rot. Bonds6

About butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane

butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane (PubChem CID 173325081) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane.

Molecular Properties

Compound Namebutyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane
PubChem CID173325081
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Namebutyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane
SMILESCCCC[SiH2]OC=CC1(C)C=CC(C)=CC1
InChIInChI=1S/C14H24OSi/c1-4-5-12-16-15-11-10-14(3)8-6-13(2)7-9-14/h6-8,10-11H,4-5,9,12,16H2,1-3H3
InChIKeyUDOXQEASHCDCGA-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-amine
CID 70410702
4-(1,4-dimethylcyclohexa-2,4-dien-1-yl)but-3-en-1-amine
CID 151511370
5-(2-decoxyethenyl)-2-ethoxy-5-methylcyclohexa-1,3-diene
CID 139905552
2-methyl-5,5-bis(methylsulfanyl)cyclohexa-1,3-diene
CID 18710896
1-dodecyl-4-methylcyclohexa-2,4-diene-1-sulfonamide
CID 156694339
1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N-[2-(4-methylphenyl)propan-2-yl]methanimine
CID 139781911
4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 141009789
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503
(1,4-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141041567
3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-3-methylbutan-2-one
CID 70947564
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
2,5-dibutyl-5-methylcyclohexa-1,3-diene
CID 90832569

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane?
The IUPAC name of butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane (CID 173325081) is butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane.
What is the SMILES notation for butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane?
The canonical SMILES for butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane is CCCC[SiH2]OC=CC1(C)C=CC(C)=CC1.
What is the InChIKey of butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane?
The InChIKey is UDOXQEASHCDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-4-5-12-16-15-11-10-14(3)8-6-13(2)7-9-14/h6-8,10-11H,4-5,9,12,16H2,1-3H3.
What are the key properties of butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane?
butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane has a molecular weight of 236.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)ethenoxy]silane is sourced from PubChem (CID 173325081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).