(E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol

C32H62O4Si2 — CID 102034636

IUPAC(E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol
SMILESC/C=C(\C)CC[C@H](O[Si](CC)(CC)CC)/C(C)=C\C[C@@H]1O[C@@]1(C)[C@H](C/C=C(\C)CO)O[Si](CC)(CC)CC
InChIInChI=1S/C32H62O4Si2/c1-12-26(8)19-22-29(35-37(13-2,14-3)15-4)28(10)21-24-30-32(11,34-30)31(23-20-27(9)25-33)36-38(16-5,17-6)18-7/h12,20-21,29-31,33H,13-19,22-25H2,1-11H3/b26-12+,27-20+,28-21-/t29-,30-,31-,32+/m0/s1
InChIKeyCHMTYPHUQYQASZ-AXQQJAQXSA-N
MW567.02 g/mol
LogP9.34
Rot. Bonds20

About (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol

(E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol (PubChem CID 102034636) has the molecular formula C32H62O4Si2 and a molecular weight of 567.02 g/mol. Its IUPAC name is (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol.

Molecular Properties

Compound Name(E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol
PubChem CID102034636
Molecular FormulaC32H62O4Si2
Molecular Weight567.02 g/mol
Exact Mass566.42
IUPAC Name(E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol
SMILESC/C=C(\C)CC[C@H](O[Si](CC)(CC)CC)/C(C)=C\C[C@@H]1O[C@@]1(C)[C@H](C/C=C(\C)CO)O[Si](CC)(CC)CC
InChIInChI=1S/C32H62O4Si2/c1-12-26(8)19-22-29(35-37(13-2,14-3)15-4)28(10)21-24-30-32(11,34-30)31(23-20-27(9)25-33)36-38(16-5,17-6)18-7/h12,20-21,29-31,33H,13-19,22-25H2,1-11H3/b26-12+,27-20+,28-21-/t29-,30-,31-,32+/m0/s1
InChIKeyCHMTYPHUQYQASZ-AXQQJAQXSA-N
XLogP9.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.02
LogP ≤ 59.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol?
The IUPAC name of (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol (CID 102034636) is (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol.
What is the SMILES notation for (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol?
The canonical SMILES for (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol is C/C=C(\C)CC[C@H](O[Si](CC)(CC)CC)/C(C)=C\C[C@@H]1O[C@@]1(C)[C@H](C/C=C(\C)CO)O[Si](CC)(CC)CC.
What is the InChIKey of (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol?
The InChIKey is CHMTYPHUQYQASZ-AXQQJAQXSA-N. The full InChI is InChI=1S/C32H62O4Si2/c1-12-26(8)19-22-29(35-37(13-2,14-3)15-4)28(10)21-24-30-32(11,34-30)31(23-20-27(9)25-33)36-38(16-5,17-6)18-7/h12,20-21,29-31,33H,13-19,22-25H2,1-11H3/b26-12+,27-20+,28-21-/t29-,30-,31-,32+/m0/s1.
What are the key properties of (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol?
(E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol has a molecular weight of 567.02 g/mol, XLogP of 9.34, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-[(2R,3S)-3-[(2Z,4S,7E)-3,7-dimethyl-4-triethylsilyloxynona-2,7-dienyl]-2-methyloxiran-2-yl]-2-methyl-5-triethylsilyloxypent-2-en-1-ol is sourced from PubChem (CID 102034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).