(Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one

C27H52O2Si — CID 171037561

IUPAC(Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one
SMILESCCCCCCCCCCCC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C27H52O2Si/c1-8-9-10-11-12-13-14-15-16-18-26(28)25(27-19-17-20-29-27)21-30(22(2)3,23(4)5)24(6)7/h21-24,27H,8-20H2,1-7H3/b25-21+
InChIKeyIHALCNNMSWUWAO-NJNXFGOHSA-N
MW436.80 g/mol
LogP8.80
Rot. Bonds16

About (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one

(Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one (PubChem CID 171037561) has the molecular formula C27H52O2Si and a molecular weight of 436.80 g/mol. Its IUPAC name is (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one.

Molecular Properties

Compound Name(Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one
PubChem CID171037561
Molecular FormulaC27H52O2Si
Molecular Weight436.80 g/mol
Exact Mass436.37
IUPAC Name(Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one
SMILESCCCCCCCCCCCC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C27H52O2Si/c1-8-9-10-11-12-13-14-15-16-18-26(28)25(27-19-17-20-29-27)21-30(22(2)3,23(4)5)24(6)7/h21-24,27H,8-20H2,1-7H3/b25-21+
InChIKeyIHALCNNMSWUWAO-NJNXFGOHSA-N
XLogP8.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.80
LogP ≤ 58.80
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(z)-3-(Tetrahydrofuran-2-yl)-4-(triisopropylsilyl)but-3-en-2-one
CID 138983937
(z)-1-Cyclopropyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl) prop-2-en-1-one
CID 138983938
Ethyl (z)-2-(tetrahydro-2h-pyran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138983944
(z)-4-Methyl-2-(tetrahydrofuran-2-yl)-1-(triisopropylsilyl) pent-1-en-3-one
CID 138985138
Ethyl (z)-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138985139
(z)-1-Cyclohexyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)prop-2-en-1-one
CID 171037539
1-[Tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one
CID 15039587
5-[8-[Tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one
CID 54579414
ethyl (2Z)-3-triethylsilyloxy-2-(trimethylsilylmethylidene)nonanoate
CID 71484677
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctadecanoate
CID 101503348
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctadecanoate
CID 101503349
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenenonanoate
CID 101852395

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one?
The IUPAC name of (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one (CID 171037561) is (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one.
What is the SMILES notation for (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one?
The canonical SMILES for (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one is CCCCCCCCCCCC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1.
What is the InChIKey of (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one?
The InChIKey is IHALCNNMSWUWAO-NJNXFGOHSA-N. The full InChI is InChI=1S/C27H52O2Si/c1-8-9-10-11-12-13-14-15-16-18-26(28)25(27-19-17-20-29-27)21-30(22(2)3,23(4)5)24(6)7/h21-24,27H,8-20H2,1-7H3/b25-21+.
What are the key properties of (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one?
(Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one has a molecular weight of 436.80 g/mol, XLogP of 8.80, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(oxolan-2-yl)-1-tri(propan-2-yl)silyltetradec-1-en-3-one is sourced from PubChem (CID 171037561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).