[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane

C29H52OSi — CID 140966234

IUPAC[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
SMILESCC1=C(/C=C/C(C)=C\C=C\[C@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)CCC1
InChIInChI=1S/C29H52OSi/c1-22(2)31(23(3)4,24(5)6)30-21-19-26(8)15-12-14-25(7)17-18-28-27(9)16-13-20-29(28,10)11/h12,14-15,17-18,22-24,26H,13,16,19-21H2,1-11H3/b15-12+,18-17+,25-14-/t26-/m0/s1
InChIKeyNHBANKRSQIGRPV-LSVJXXOUSA-N
MW444.82 g/mol
LogP9.79
Rot. Bonds11

About [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane

[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane (PubChem CID 140966234) has the molecular formula C29H52OSi and a molecular weight of 444.82 g/mol. Its IUPAC name is [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
PubChem CID140966234
Molecular FormulaC29H52OSi
Molecular Weight444.82 g/mol
Exact Mass444.38
IUPAC Name[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
SMILESCC1=C(/C=C/C(C)=C\C=C\[C@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)CCC1
InChIInChI=1S/C29H52OSi/c1-22(2)31(23(3)4,24(5)6)30-21-19-26(8)15-12-14-25(7)17-18-28-27(9)16-13-20-29(28,10)11/h12,14-15,17-18,22-24,26H,13,16,19-21H2,1-11H3/b15-12+,18-17+,25-14-/t26-/m0/s1
InChIKeyNHBANKRSQIGRPV-LSVJXXOUSA-N
XLogP9.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.82
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane (CID 140966234) is [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane is CC1=C(/C=C/C(C)=C\C=C\[C@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)CCC1.
What is the InChIKey of [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane?
The InChIKey is NHBANKRSQIGRPV-LSVJXXOUSA-N. The full InChI is InChI=1S/C29H52OSi/c1-22(2)31(23(3)4,24(5)6)30-21-19-26(8)15-12-14-25(7)17-18-28-27(9)16-13-20-29(28,10)11/h12,14-15,17-18,22-24,26H,13,16,19-21H2,1-11H3/b15-12+,18-17+,25-14-/t26-/m0/s1.
What are the key properties of [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane?
[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane has a molecular weight of 444.82 g/mol, XLogP of 9.79, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 140966234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).