1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane

C20H42O4Si — CID 174601366

IUPAC1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane
SMILESCCCCCOC1(CCC)C(C)CC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C20H42O4Si/c1-8-11-12-16-24-19(14-9-2)18(4)13-17-25(22-6,23-7)20(19,21-5)15-10-3/h18H,8-17H2,1-7H3
InChIKeyGZHBFWQJHGKPBQ-UHFFFAOYSA-N
MW374.64 g/mol
LogP5.23
Rot. Bonds12

About 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane

1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane (PubChem CID 174601366) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane
PubChem CID174601366
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Name1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane
SMILESCCCCCOC1(CCC)C(C)CC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C20H42O4Si/c1-8-11-12-16-24-19(14-9-2)18(4)13-17-25(22-6,23-7)20(19,21-5)15-10-3/h18H,8-17H2,1-7H3
InChIKeyGZHBFWQJHGKPBQ-UHFFFAOYSA-N
XLogP5.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
CID 174751630
1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
CID 114773514
3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane
CID 174747798
3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
3-chloro-1,1,2-trimethoxy-2-propylsilinane
CID 174351373
1,1,2-trimethoxy-3-[(2-methylpropan-2-yl)oxy]-2-propylsilinane
CID 174791973
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525
1-(iodomethyl)-3-methyl-1-pentoxycyclohexane
CID 114773697
(1S,6R)-3-methyl-3-pentoxy-7-oxabicyclo[4.1.0]heptane
CID 174589091
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
(2S,3S,4R,5R)-2-hexoxy-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 139696079

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane?
The IUPAC name of 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane (CID 174601366) is 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane.
What is the SMILES notation for 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane?
The canonical SMILES for 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane is CCCCCOC1(CCC)C(C)CC[Si](OC)(OC)C1(CCC)OC.
What is the InChIKey of 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane?
The InChIKey is GZHBFWQJHGKPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-8-11-12-16-24-19(14-9-2)18(4)13-17-25(22-6,23-7)20(19,21-5)15-10-3/h18H,8-17H2,1-7H3.
What are the key properties of 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane?
1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane has a molecular weight of 374.64 g/mol, XLogP of 5.23, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-4-methyl-3-pentoxy-2,3-dipropylsilinane is sourced from PubChem (CID 174601366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).