(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol

C21H36F2OSi — CID 10690558

IUPAC(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol
SMILESCCCC/C=C/C=C/C(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36F2OSi/c1-8-9-10-11-12-13-14-20(24)21(22,23)15-16-25(17(2)3,18(4)5)19(6)7/h11-14,17-20,24H,8-10H2,1-7H3/b12-11+,14-13+
InChIKeyKSEPZOGEECKKID-LDHFCIDVSA-N
MW370.60 g/mol
LogP6.51
Rot. Bonds9

About (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol

(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol (PubChem CID 10690558) has the molecular formula C21H36F2OSi and a molecular weight of 370.60 g/mol. Its IUPAC name is (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol.

Molecular Properties

Compound Name(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol
PubChem CID10690558
Molecular FormulaC21H36F2OSi
Molecular Weight370.60 g/mol
Exact Mass370.25
IUPAC Name(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol
SMILESCCCC/C=C/C=C/C(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36F2OSi/c1-8-9-10-11-12-13-14-20(24)21(22,23)15-16-25(17(2)3,18(4)5)19(6)7/h11-14,17-20,24H,8-10H2,1-7H3/b12-11+,14-13+
InChIKeyKSEPZOGEECKKID-LDHFCIDVSA-N
XLogP6.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.60
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
3,3-Difluoro-6-methyl-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 15495754
(E)-3,3-difluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 15495757
(E)-8-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooct-2-en-6-yn-4-ol
CID 16087506
(3E,5E,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol
CID 10891604
(3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol
CID 11087555

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol?
The IUPAC name of (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol (CID 10690558) is (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol.
What is the SMILES notation for (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol?
The canonical SMILES for (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol is CCCC/C=C/C=C/C(O)C(F)(F)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol?
The InChIKey is KSEPZOGEECKKID-LDHFCIDVSA-N. The full InChI is InChI=1S/C21H36F2OSi/c1-8-9-10-11-12-13-14-20(24)21(22,23)15-16-25(17(2)3,18(4)5)19(6)7/h11-14,17-20,24H,8-10H2,1-7H3/b12-11+,14-13+.
What are the key properties of (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol?
(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol has a molecular weight of 370.60 g/mol, XLogP of 6.51, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol is sourced from PubChem (CID 10690558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).