[(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane

C32H58O2Si2 — CID 11785886

IUPAC[(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane
SMILESCC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H](CC#C[Si](C)(C)C)O[C@H]2/C(C)=C\CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H58O2Si2/c1-22(2)28-19-18-26(9)30-29(17-15-21-35(11,12)13)34-32(31(28)30)27(10)16-14-20-33-36(23(3)4,24(5)6)25(7)8/h16,18,22-25,28-32H,14,17,19-20H2,1-13H3/b27-16-/t28-,29-,30-,31-,32+/m1/s1
InChIKeyYIVMOEGUCIOEOZ-QIGASNQOSA-N
MW530.99 g/mol
LogP9.41
Rot. Bonds10

About [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane

[(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 11785886) has the molecular formula C32H58O2Si2 and a molecular weight of 530.99 g/mol. Its IUPAC name is [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane
PubChem CID11785886
Molecular FormulaC32H58O2Si2
Molecular Weight530.99 g/mol
Exact Mass530.40
IUPAC Name[(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane
SMILESCC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H](CC#C[Si](C)(C)C)O[C@H]2/C(C)=C\CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H58O2Si2/c1-22(2)28-19-18-26(9)30-29(17-15-21-35(11,12)13)34-32(31(28)30)27(10)16-14-20-33-36(23(3)4,24(5)6)25(7)8/h16,18,22-25,28-32H,14,17,19-20H2,1-13H3/b27-16-/t28-,29-,30-,31-,32+/m1/s1
InChIKeyYIVMOEGUCIOEOZ-QIGASNQOSA-N
XLogP9.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.99
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane with MolForge

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Related Compounds

(E)-3-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]but-2-en-1-ol
CID 10882926
(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-3-prop-2-ynyl-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-en-1-ol
CID 11167422
trimethyl-[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 11954549
tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
CID 172571514
(E)-3-[(1R,3R,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,5,6,7,7a-hexahydro-2-benzofuran-1-yl]but-2-en-1-ol
CID 11035801
[(E)-4-[(2R,3aS,4R,7aS)-6-methyl-4-prop-1-en-2-yl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-yl]-3-iodobut-3-enoxy]-tri(propan-2-yl)silane
CID 16732040
tert-butyl-dimethyl-[(2S,6S,7E,10S,11S,12E)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-1-[(2R,6R)-6-prop-2-ynyl-3,6-dihydro-2H-pyran-2-yl]-10,11-bis(triethylsilyloxy)trideca-7,12-dien-6-yl]oxysilane
CID 44178526
CID 46197734
CID 46197734
tert-butyl-[[(1R,2R,6R,7R,8R)-3,9-dimethyl-6-propan-2-yl-12-oxatricyclo[6.3.1.02,7]dodeca-3,9-dien-10-yl]oxy]-dimethylsilane
CID 101345061
tert-butyl-dimethyl-[(2S,6S,7E,10S,11S,12E)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidene-1-pent-4-ynoxy-10,11-bis(triethylsilyloxy)trideca-7,12-dien-6-yl]oxysilane
CID 101489056
(E)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-en-1-ol
CID 102371781

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane (CID 11785886) is [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane is CC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H](CC#C[Si](C)(C)C)O[C@H]2/C(C)=C\CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
The InChIKey is YIVMOEGUCIOEOZ-QIGASNQOSA-N. The full InChI is InChI=1S/C32H58O2Si2/c1-22(2)28-19-18-26(9)30-29(17-15-21-35(11,12)13)34-32(31(28)30)27(10)16-14-20-33-36(23(3)4,24(5)6)25(7)8/h16,18,22-25,28-32H,14,17,19-20H2,1-13H3/b27-16-/t28-,29-,30-,31-,32+/m1/s1.
What are the key properties of [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane?
[(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 530.99 g/mol, XLogP of 9.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[(1R,3R,3aR,7R,7aR)-4-methyl-7-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]pent-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11785886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).