(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol

C24H46OSi2 — CID 10573421

IUPAC(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol
SMILESCC(C)(C)C(=C=C[C@@H](O)[C@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H46OSi2/c1-22(2,3)21(23(4,5)6)16-15-19(25)20(17-18-26(10,11)12)27(13,14)24(7,8)9/h15,19-20,25H,1-14H3/t19-,20+/m1/s1
InChIKeyGQZYMHJCVHLIMJ-UXHICEINSA-N
MW406.80 g/mol
LogP7.28
Rot. Bonds3

About (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol

(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol (PubChem CID 10573421) has the molecular formula C24H46OSi2 and a molecular weight of 406.80 g/mol. Its IUPAC name is (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol.

Molecular Properties

Compound Name(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol
PubChem CID10573421
Molecular FormulaC24H46OSi2
Molecular Weight406.80 g/mol
Exact Mass406.31
IUPAC Name(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol
SMILESCC(C)(C)C(=C=C[C@@H](O)[C@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H46OSi2/c1-22(2,3)21(23(4,5)6)16-15-19(25)20(17-18-26(10,11)12)27(13,14)24(7,8)9/h15,19-20,25H,1-14H3/t19-,20+/m1/s1
InChIKeyGQZYMHJCVHLIMJ-UXHICEINSA-N
XLogP7.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.80
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(5R,6R)-2,6-dimethyl-6-trimethylsilylnona-2,3-dien-7-yn-5-ol
CID 15721119
(4R,5R)-8-butyl-4-methyl-4-trimethylsilyldodeca-6,7-dien-2-yn-5-ol
CID 15721121
(3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol
CID 10639611
5,5-Dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol
CID 15828072

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol?
The IUPAC name of (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol (CID 10573421) is (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol.
What is the SMILES notation for (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol?
The canonical SMILES for (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol is CC(C)(C)C(=C=C[C@@H](O)[C@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol?
The InChIKey is GQZYMHJCVHLIMJ-UXHICEINSA-N. The full InChI is InChI=1S/C24H46OSi2/c1-22(2,3)21(23(4,5)6)16-15-19(25)20(17-18-26(10,11)12)27(13,14)24(7,8)9/h15,19-20,25H,1-14H3/t19-,20+/m1/s1.
What are the key properties of (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol?
(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol has a molecular weight of 406.80 g/mol, XLogP of 7.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol is sourced from PubChem (CID 10573421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).