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

C18H34OSi2 — CID 10639611

IUPAC(3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol
SMILESCC(C)=C=C[C@@H](O)[C@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi2/c1-15(2)11-12-16(19)17(13-14-20(6,7)8)21(9,10)18(3,4)5/h12,16-17,19H,1-10H3/t16-,17+/m1/s1
InChIKeyHOKXBTGBLUFXFH-SJORKVTESA-N
MW322.64 g/mol
LogP5.23
Rot. Bonds3

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

(3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol (PubChem CID 10639611) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol
PubChem CID10639611
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol
SMILESCC(C)=C=C[C@@H](O)[C@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi2/c1-15(2)11-12-16(19)17(13-14-20(6,7)8)21(9,10)18(3,4)5/h12,16-17,19H,1-10H3/t16-,17+/m1/s1
InChIKeyHOKXBTGBLUFXFH-SJORKVTESA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.23
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'}

Analyze (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol with MolForge

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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
(E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol
CID 134883125
5-Methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
CID 135073378
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol
CID 164666342
(3S,4R)-7-tert-butyl-3-[tert-butyl(dimethyl)silyl]-8,8-dimethyl-1-trimethylsilylnona-5,6-dien-1-yn-4-ol
CID 10573421
(Z,3R,4S)-3-[tert-butyl(dimethyl)silyl]-6-methyl-1-trimethylsilyloct-5-en-1,7-diyn-4-ol
CID 10639459
4-Methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol
CID 11402468
2-Methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
CID 13443335
(E)-4-methyl-1-trimethylsilyl-1-tri(propan-2-yl)silylpent-1-en-3-ol
CID 15750623
3-Trimethylsilylocta-1,2-dien-6-yn-4-ol
CID 85673850
2-Methyl-5-trimethylsilylpent-1-en-4-yn-3-ol
CID 85944295

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol (CID 10639611) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol?
The canonical SMILES for (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol is CC(C)=C=C[C@@H](O)[C@H](C#C[Si](C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol?
The InChIKey is HOKXBTGBLUFXFH-SJORKVTESA-N. The full InChI is InChI=1S/C18H34OSi2/c1-15(2)11-12-16(19)17(13-14-20(6,7)8)21(9,10)18(3,4)5/h12,16-17,19H,1-10H3/t16-,17+/m1/s1.
What are the key properties of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol?
(3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol has a molecular weight of 322.64 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[tert-butyl(dimethyl)silyl]-7-methyl-1-trimethylsilylocta-5,6-dien-1-yn-4-ol is sourced from PubChem (CID 10639611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).