(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol

C17H28OSi — CID 15721123

IUPAC(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
SMILESC=CCC[C@@](C#CC)([C@H](O)C=C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-8-10-14-17(13-9-2,19(5,6)7)16(18)12-11-15(3)4/h8,12,16,18H,1,10,14H2,2-7H3/t16-,17+/m1/s1
InChIKeyFHLPSIRNCYTYAD-SJORKVTESA-N
MW276.50 g/mol
LogP4.54
Rot. Bonds6

About (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol

(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol (PubChem CID 15721123) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol.

Molecular Properties

Compound Name(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
PubChem CID15721123
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
SMILESC=CCC[C@@](C#CC)([C@H](O)C=C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-8-10-14-17(13-9-2,19(5,6)7)16(18)12-11-15(3)4/h8,12,16,18H,1,10,14H2,2-7H3/t16-,17+/m1/s1
InChIKeyFHLPSIRNCYTYAD-SJORKVTESA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol with MolForge

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Related Compounds

(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
CID 15778100
(1R,4R)-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 17755069
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
CID 122380458
(4S,7R)-7-methyl-7-triethylsilyloxynon-8-en-2-yn-4-ol
CID 134967061
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
CID 134968749
(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
CID 134978481
(5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol
CID 134978482
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-3-ol
CID 139252744
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-5-ol
CID 139252751
5-Methylidene-1-trimethylsilyldec-9-en-1-yn-4-ol
CID 139252754
2-Methyl-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 14110518
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-en-7-yn-3-ol
CID 23028912

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol?
The IUPAC name of (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol (CID 15721123) is (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol.
What is the SMILES notation for (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol?
The canonical SMILES for (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol is C=CCC[C@@](C#CC)([C@H](O)C=C=C(C)C)[Si](C)(C)C.
What is the InChIKey of (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol?
The InChIKey is FHLPSIRNCYTYAD-SJORKVTESA-N. The full InChI is InChI=1S/C17H28OSi/c1-8-10-14-17(13-9-2,19(5,6)7)16(18)12-11-15(3)4/h8,12,16,18H,1,10,14H2,2-7H3/t16-,17+/m1/s1.
What are the key properties of (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol?
(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol has a molecular weight of 276.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol is sourced from PubChem (CID 15721123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).