[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane

C19H36O4Si — CID 123385784

IUPAC[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane
SMILESCC=COCCCC(CCCOC=CC)(CCCOC=CC)O[SiH3]
InChIInChI=1S/C19H36O4Si/c1-4-13-20-16-7-10-19(23-24,11-8-17-21-14-5-2)12-9-18-22-15-6-3/h4-6,13-15H,7-12,16-18H2,1-3,24H3
InChIKeyLBGHFAJZTKMZCM-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.01
Rot. Bonds16

About [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane

[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane (PubChem CID 123385784) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane.

Molecular Properties

Compound Name[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane
PubChem CID123385784
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane
SMILESCC=COCCCC(CCCOC=CC)(CCCOC=CC)O[SiH3]
InChIInChI=1S/C19H36O4Si/c1-4-13-20-16-7-10-19(23-24,11-8-17-21-14-5-2)12-9-18-22-15-6-3/h4-6,13-15H,7-12,16-18H2,1-3,24H3
InChIKeyLBGHFAJZTKMZCM-UHFFFAOYSA-N
XLogP4.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1,10-bis(prop-1-enoxy)decane
CID 54271291
4,4-diethoxy-1-prop-1-enoxypentane
CID 151988040
1-prop-1-enoxydecane
CID 54116737
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
8-methyl-1-prop-1-enoxynonane
CID 152729157
silane;tribromo(3-prop-1-enoxypropyl)silane
CID 161219815
trimethoxy(7-prop-1-enoxyheptyl)silane
CID 151084650
2-[3-[(E)-prop-1-enoxy]propyl]thiirane
CID 176604691
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861
methoxy-methyl-[(2-methylpropan-2-yl)oxy]-(3-prop-1-enoxypropyl)silane
CID 141299750

Frequently Asked Questions

What is the IUPAC name of [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane?
The IUPAC name of [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane (CID 123385784) is [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane.
What is the SMILES notation for [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane?
The canonical SMILES for [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane is CC=COCCCC(CCCOC=CC)(CCCOC=CC)O[SiH3].
What is the InChIKey of [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane?
The InChIKey is LBGHFAJZTKMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-4-13-20-16-7-10-19(23-24,11-8-17-21-14-5-2)12-9-18-22-15-6-3/h4-6,13-15H,7-12,16-18H2,1-3,24H3.
What are the key properties of [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane?
[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane has a molecular weight of 356.58 g/mol, XLogP of 4.01, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane is sourced from PubChem (CID 123385784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).