[(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane

C32H62O4Si2 — CID 10554996

IUPAC[(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane
SMILESC=C[C@@H](C)CC[C@@H]1O[C@@]2(CC[C@H]1C)CC[C@H](C)[C@H]([C@H](C)CC[C@H](O[Si](C)(C)C)[C@H](C)C(=C)O[Si](C)(C)C)O2
InChIInChI=1S/C32H62O4Si2/c1-14-23(2)15-17-29-24(3)19-21-32(33-29)22-20-26(5)31(34-32)25(4)16-18-30(36-38(11,12)13)27(6)28(7)35-37(8,9)10/h14,23-27,29-31H,1,7,15-22H2,2-6,8-13H3/t23-,24-,25-,26+,27-,29+,30+,31+,32-/m1/s1
InChIKeyGXDUERCPANHYST-YRGUEPOUSA-N
MW567.02 g/mol
LogP9.55
Rot. Bonds14

About [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane

[(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane (PubChem CID 10554996) has the molecular formula C32H62O4Si2 and a molecular weight of 567.02 g/mol. Its IUPAC name is [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane
PubChem CID10554996
Molecular FormulaC32H62O4Si2
Molecular Weight567.02 g/mol
Exact Mass566.42
IUPAC Name[(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane
SMILESC=C[C@@H](C)CC[C@@H]1O[C@@]2(CC[C@H]1C)CC[C@H](C)[C@H]([C@H](C)CC[C@H](O[Si](C)(C)C)[C@H](C)C(=C)O[Si](C)(C)C)O2
InChIInChI=1S/C32H62O4Si2/c1-14-23(2)15-17-29-24(3)19-21-32(33-29)22-20-26(5)31(34-32)25(4)16-18-30(36-38(11,12)13)27(6)28(7)35-37(8,9)10/h14,23-27,29-31H,1,7,15-22H2,2-6,8-13H3/t23-,24-,25-,26+,27-,29+,30+,31+,32-/m1/s1
InChIKeyGXDUERCPANHYST-YRGUEPOUSA-N
XLogP9.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.02
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane (CID 10554996) is [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane is C=C[C@@H](C)CC[C@@H]1O[C@@]2(CC[C@H]1C)CC[C@H](C)[C@H]([C@H](C)CC[C@H](O[Si](C)(C)C)[C@H](C)C(=C)O[Si](C)(C)C)O2.
What is the InChIKey of [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is GXDUERCPANHYST-YRGUEPOUSA-N. The full InChI is InChI=1S/C32H62O4Si2/c1-14-23(2)15-17-29-24(3)19-21-32(33-29)22-20-26(5)31(34-32)25(4)16-18-30(36-38(11,12)13)27(6)28(7)35-37(8,9)10/h14,23-27,29-31H,1,7,15-22H2,2-6,8-13H3/t23-,24-,25-,26+,27-,29+,30+,31+,32-/m1/s1.
What are the key properties of [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane?
[(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 567.02 g/mol, XLogP of 9.55, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,7R)-7-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methyl-2-trimethylsilyloxyoct-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 10554996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).