(2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol

C22H42O2Si — CID 44549724

IUPAC(2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol
SMILESC#CCCCC(=C)CC[C@@H](O)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O2Si/c1-10-11-12-13-20(8)14-15-22(23)21(9)16-24-25(17(2)3,18(4)5)19(6)7/h1,17-19,21-23H,8,11-16H2,2-7,9H3/t21-,22+/m0/s1
InChIKeyYLVRWDMVYGDXFM-FCHUYYIVSA-N
MW366.66 g/mol
LogP6.32
Rot. Bonds13

About (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol

(2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol (PubChem CID 44549724) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol
PubChem CID44549724
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name(2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol
SMILESC#CCCCC(=C)CC[C@@H](O)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O2Si/c1-10-11-12-13-20(8)14-15-22(23)21(9)16-24-25(17(2)3,18(4)5)19(6)7/h1,17-19,21-23H,8,11-16H2,2-7,9H3/t21-,22+/m0/s1
InChIKeyYLVRWDMVYGDXFM-FCHUYYIVSA-N
XLogP6.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-pent-4-ynylcyclohex-3-en-1-ol
CID 11163507
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-ol
CID 53328468
(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]hex-3-yn-1-ol
CID 71770729
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol
CID 134879007
trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-methylidene-3-pent-4-ynylcyclohexan-1-ol
CID 135066800
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol
CID 146161735
(3S,4R)-12-[tert-butyl(dimethyl)silyl]oxy-3-methyldodec-1-en-4-ol
CID 162410780
11-Methyl-7-methylidene-1-tributylstannyl-10-triethylsilyloxytetradec-8-yn-6-ol
CID 88777727
(5S,6R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-6-methylnon-8-yn-1-ol
CID 89751274
(2S,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-6-ene-1,3-diol
CID 139994433
(E,2R,3R,8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-iodo-8,10-dimethylundec-10-ene-1,3-diol
CID 10254752
11-[Tert-butyl(dimethyl)silyl]oxy-3-methyl-6-prop-1-en-2-ylundeca-1,2-dien-9-yn-4-ol
CID 10427863

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol?
The IUPAC name of (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol (CID 44549724) is (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol.
What is the SMILES notation for (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol?
The canonical SMILES for (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol is C#CCCCC(=C)CC[C@@H](O)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol?
The InChIKey is YLVRWDMVYGDXFM-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-10-11-12-13-20(8)14-15-22(23)21(9)16-24-25(17(2)3,18(4)5)19(6)7/h1,17-19,21-23H,8,11-16H2,2-7,9H3/t21-,22+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol?
(2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol has a molecular weight of 366.66 g/mol, XLogP of 6.32, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-6-methylidene-1-tri(propan-2-yl)silyloxyundec-10-yn-3-ol is sourced from PubChem (CID 44549724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).