[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane

C29H48O2Si — CID 135070283

IUPAC[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane
SMILESC=C1C2=CC(OC)=C[C@]1(C)CC/C(C)=C/CC/C(C)=C/[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H48O2Si/c1-20(2)32(21(3)4,22(5)6)31-28-17-24(8)14-12-13-23(7)15-16-29(10)19-26(30-11)18-27(28)25(29)9/h13,17-22,28H,9,12,14-16H2,1-8,10-11H3/b23-13+,24-17+/t28-,29-/m0/s1
InChIKeyMOPFDBGRNTYWFU-YVOTXWQGSA-N
MW456.79 g/mol
LogP9.05
Rot. Bonds6

About [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane

[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane (PubChem CID 135070283) has the molecular formula C29H48O2Si and a molecular weight of 456.79 g/mol. Its IUPAC name is [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane
PubChem CID135070283
Molecular FormulaC29H48O2Si
Molecular Weight456.79 g/mol
Exact Mass456.34
IUPAC Name[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane
SMILESC=C1C2=CC(OC)=C[C@]1(C)CC/C(C)=C/CC/C(C)=C/[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H48O2Si/c1-20(2)32(21(3)4,22(5)6)31-28-17-24(8)14-12-13-23(7)15-16-29(10)19-26(30-11)18-27(28)25(29)9/h13,17-22,28H,9,12,14-16H2,1-8,10-11H3/b23-13+,24-17+/t28-,29-/m0/s1
InChIKeyMOPFDBGRNTYWFU-YVOTXWQGSA-N
XLogP9.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.79
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21578157
tert-butyl-[(1S)-4-ethenyl-4-[(E)-3-methoxyprop-2-enyl]cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12132481
tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 53260831
1-[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl acetate
CID 53668730
4,5-Bis(3,7-dimethylocta-2,6-dienyl)-3,6-dimethoxy-1,2,5-trimethylcyclohexa-1,3-diene
CID 70595061
6-Ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene
CID 139905508
5-Butyl-6-ethoxy-5-(2-undecoxyethenyl)cyclohexa-1,3-diene
CID 139905583
5-Decyl-6-ethoxy-5-(2-undecoxyethenyl)cyclohexa-1,3-diene
CID 139905586
6-Ethoxy-5-hexyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene
CID 139905588
tert-butyl-[(1S,3Z,5E)-6-(1-methoxy-2,2-dimethylpropyl)-2-methylidenecyclonona-3,5-dien-1-yl]oxy-dimethylsilane
CID 173583977
[(4aS)-1-methoxy-4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl]oxy-trimethylsilane
CID 10038579
[5,5-Bis(but-3-enyl)-3-methoxycyclopenta-1,3-dien-1-yl]oxy-tri(propan-2-yl)silane
CID 25227989

Frequently Asked Questions

What is the IUPAC name of [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane (CID 135070283) is [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane is C=C1C2=CC(OC)=C[C@]1(C)CC/C(C)=C/CC/C(C)=C/[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane?
The InChIKey is MOPFDBGRNTYWFU-YVOTXWQGSA-N. The full InChI is InChI=1S/C29H48O2Si/c1-20(2)32(21(3)4,22(5)6)31-28-17-24(8)14-12-13-23(7)15-16-29(10)19-26(30-11)18-27(28)25(29)9/h13,17-22,28H,9,12,14-16H2,1-8,10-11H3/b23-13+,24-17+/t28-,29-/m0/s1.
What are the key properties of [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane?
[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane has a molecular weight of 456.79 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 135070283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).