(3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one

C19H30O2Si — CID 24795527

IUPAC(3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one
SMILESCC(C)[Si](C#C[C@@H](C)CC(=O)c1ccco1)(C(C)C)C(C)C
InChIInChI=1S/C19H30O2Si/c1-14(2)22(15(3)4,16(5)6)12-10-17(7)13-18(20)19-9-8-11-21-19/h8-9,11,14-17H,13H2,1-7H3/t17-/m1/s1
InChIKeyNLRWEZSNNJTYFK-QGZVFWFLSA-N
MW318.53 g/mol
LogP5.71
Rot. Bonds6

About (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one

(3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one (PubChem CID 24795527) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one.

Molecular Properties

Compound Name(3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one
PubChem CID24795527
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name(3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one
SMILESCC(C)[Si](C#C[C@@H](C)CC(=O)c1ccco1)(C(C)C)C(C)C
InChIInChI=1S/C19H30O2Si/c1-14(2)22(15(3)4,16(5)6)12-10-17(7)13-18(20)19-9-8-11-21-19/h8-9,11,14-17H,13H2,1-7H3/t17-/m1/s1
InChIKeyNLRWEZSNNJTYFK-QGZVFWFLSA-N
XLogP5.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
4-[3-(furan-2-yl)-1-hydroxy-3-oxopropyl]benzonitrile
CID 22297935
1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
CID 107767579
3-bromo-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]furan-2-carboxamide
CID 124591402
ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate
CID 132525007
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate
CID 15759449
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
3,3-bis(3,5-dimethylpyrazol-1-yl)-1-(furan-2-yl)propan-1-one
CID 167993301

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one?
The IUPAC name of (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one (CID 24795527) is (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one.
What is the SMILES notation for (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one?
The canonical SMILES for (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one is CC(C)[Si](C#C[C@@H](C)CC(=O)c1ccco1)(C(C)C)C(C)C.
What is the InChIKey of (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one?
The InChIKey is NLRWEZSNNJTYFK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-14(2)22(15(3)4,16(5)6)12-10-17(7)13-18(20)19-9-8-11-21-19/h8-9,11,14-17H,13H2,1-7H3/t17-/m1/s1.
What are the key properties of (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one?
(3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one has a molecular weight of 318.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-yl)-3-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-one is sourced from PubChem (CID 24795527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).