1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane

C18H36O3Si — CID 173329185

IUPAC1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane
SMILESC=C(C)COCCCC(CCCOCC(=C)C)[SiH2]OCCC
InChIInChI=1S/C18H36O3Si/c1-6-11-21-22-18(9-7-12-19-14-16(2)3)10-8-13-20-15-17(4)5/h18H,2,4,6-15,22H2,1,3,5H3
InChIKeyOFJRTMONQUWRTC-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.03
Rot. Bonds16

About 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane

1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane (PubChem CID 173329185) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane.

Molecular Properties

Compound Name1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane
PubChem CID173329185
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane
SMILESC=C(C)COCCCC(CCCOCC(=C)C)[SiH2]OCCC
InChIInChI=1S/C18H36O3Si/c1-6-11-21-22-18(9-7-12-19-14-16(2)3)10-8-13-20-15-17(4)5/h18H,2,4,6-15,22H2,1,3,5H3
InChIKeyOFJRTMONQUWRTC-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
CID 59269543
CID 59269543
trichloro-[3-(2-methylprop-2-enoxy)propyl]silane
CID 20563726
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
1-(2-methylprop-2-enoxy)-4-[2,2,2-tri(propan-2-yloxy)ethyl]undecane
CID 151589959
2-[10-(2-methylprop-2-enoxy)decyl]propanedioic acid
CID 87259475
ethoxy-diethyl-[3-(2-methylprop-2-enoxy)propyl]silane
CID 87251812
trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
CID 88729862
1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane
CID 58362293
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane?
The IUPAC name of 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane (CID 173329185) is 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane.
What is the SMILES notation for 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane?
The canonical SMILES for 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane is C=C(C)COCCCC(CCCOCC(=C)C)[SiH2]OCCC.
What is the InChIKey of 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane?
The InChIKey is OFJRTMONQUWRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-6-11-21-22-18(9-7-12-19-14-16(2)3)10-8-13-20-15-17(4)5/h18H,2,4,6-15,22H2,1,3,5H3.
What are the key properties of 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane?
1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane has a molecular weight of 328.57 g/mol, XLogP of 4.03, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(2-methylprop-2-enoxy)heptan-4-yl-propoxysilane is sourced from PubChem (CID 173329185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).