3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate

C40H76O4Si — CID 70184537

IUPAC3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate
SMILESCC(C)=CCCC(C)CCO[Si](OC1CC(C)CCC1C(C)C)(OC1CC(C)CCC1C(C)C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C40H76O4Si/c1-27(2)14-13-15-31(9)22-23-41-45(42-38-24-32(10)16-19-35(38)28(3)4,43-39-25-33(11)17-20-36(39)29(5)6)44-40-26-34(12)18-21-37(40)30(7)8/h14,28-40H,13,15-26H2,1-12H3
InChIKeyYCLHZNMZAUIXQB-UHFFFAOYSA-N
MW649.13 g/mol
LogP11.64
Rot. Bonds16

About 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate

3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate (PubChem CID 70184537) has the molecular formula C40H76O4Si and a molecular weight of 649.13 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate.

Molecular Properties

Compound Name3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate
PubChem CID70184537
Molecular FormulaC40H76O4Si
Molecular Weight649.13 g/mol
Exact Mass648.55
IUPAC Name3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate
SMILESCC(C)=CCCC(C)CCO[Si](OC1CC(C)CCC1C(C)C)(OC1CC(C)CCC1C(C)C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C40H76O4Si/c1-27(2)14-13-15-31(9)22-23-41-45(42-38-24-32(10)16-19-35(38)28(3)4,43-39-25-33(11)17-20-36(39)29(5)6)44-40-26-34(12)18-21-37(40)30(7)8/h14,28-40H,13,15-26H2,1-12H3
InChIKeyYCLHZNMZAUIXQB-UHFFFAOYSA-N
XLogP11.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.13
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate with MolForge

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Related Compounds

methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
CID 136711061
CID 136711061
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
cyclopentyl-dimethoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
CID 54103805
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
CID 73079157
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate?
The IUPAC name of 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate (CID 70184537) is 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate.
What is the SMILES notation for 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate?
The canonical SMILES for 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate is CC(C)=CCCC(C)CCO[Si](OC1CC(C)CCC1C(C)C)(OC1CC(C)CCC1C(C)C)OC1CC(C)CCC1C(C)C.
What is the InChIKey of 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate?
The InChIKey is YCLHZNMZAUIXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H76O4Si/c1-27(2)14-13-15-31(9)22-23-41-45(42-38-24-32(10)16-19-35(38)28(3)4,43-39-25-33(11)17-20-36(39)29(5)6)44-40-26-34(12)18-21-37(40)30(7)8/h14,28-40H,13,15-26H2,1-12H3.
What are the key properties of 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate?
3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate has a molecular weight of 649.13 g/mol, XLogP of 11.64, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate is sourced from PubChem (CID 70184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).