(7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid

C20H38O3Si — CID 173033160

IUPAC(7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid
SMILESCCC(C(=O)O)=C(C)CC=C[C@H](C)[C@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O3Si/c1-8-18(20(21)22)16(6)14-13-15-17(7)19(9-2)23-24(10-3,11-4)12-5/h13,15,17,19H,8-12,14H2,1-7H3,(H,21,22)/t17-,19-/m0/s1
InChIKeyYHFZWVSTFQRDOH-HKUYNNGSSA-N
MW354.61 g/mol
LogP6.18
Rot. Bonds12

About (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid

(7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid (PubChem CID 173033160) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid.

Molecular Properties

Compound Name(7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid
PubChem CID173033160
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid
SMILESCCC(C(=O)O)=C(C)CC=C[C@H](C)[C@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O3Si/c1-8-18(20(21)22)16(6)14-13-15-17(7)19(9-2)23-24(10-3,11-4)12-5/h13,15,17,19H,8-12,14H2,1-7H3,(H,21,22)/t17-,19-/m0/s1
InChIKeyYHFZWVSTFQRDOH-HKUYNNGSSA-N
XLogP6.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid?
The IUPAC name of (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid (CID 173033160) is (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid.
What is the SMILES notation for (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid?
The canonical SMILES for (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid is CCC(C(=O)O)=C(C)CC=C[C@H](C)[C@H](CC)O[Si](CC)(CC)CC.
What is the InChIKey of (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid?
The InChIKey is YHFZWVSTFQRDOH-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-8-18(20(21)22)16(6)14-13-15-17(7)19(9-2)23-24(10-3,11-4)12-5/h13,15,17,19H,8-12,14H2,1-7H3,(H,21,22)/t17-,19-/m0/s1.
What are the key properties of (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid?
(7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid has a molecular weight of 354.61 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-2-ethyl-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dienoic acid is sourced from PubChem (CID 173033160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).