(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol

C24H40OSi — CID 134978481

IUPAC(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
SMILESC=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCC(C)(C)C=C)[Si](C)(C)C
InChIInChI=1S/C24H40OSi/c1-9-12-13-14-15-16-17-18-22(25)24(19-10-2,26(6,7)8)21-20-23(4,5)11-3/h9,11,16,18,22,25H,1,3,12-15,20-21H2,2,4-8H3/t17?,22-,24+/m1/s1
InChIKeyDYXWDZBLFZVLAN-JULHGLQNSA-N
MW372.67 g/mol
LogP6.90
Rot. Bonds12

About (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol

(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol (PubChem CID 134978481) has the molecular formula C24H40OSi and a molecular weight of 372.67 g/mol. Its IUPAC name is (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol.

Molecular Properties

Compound Name(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
PubChem CID134978481
Molecular FormulaC24H40OSi
Molecular Weight372.67 g/mol
Exact Mass372.28
IUPAC Name(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
SMILESC=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCC(C)(C)C=C)[Si](C)(C)C
InChIInChI=1S/C24H40OSi/c1-9-12-13-14-15-16-17-18-22(25)24(19-10-2,26(6,7)8)21-20-23(4,5)11-3/h9,11,16,18,22,25H,1,3,12-15,20-21H2,2,4-8H3/t17?,22-,24+/m1/s1
InChIKeyDYXWDZBLFZVLAN-JULHGLQNSA-N
XLogP6.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.90
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
The IUPAC name of (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol (CID 134978481) is (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol.
What is the SMILES notation for (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
The canonical SMILES for (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol is C=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCC(C)(C)C=C)[Si](C)(C)C.
What is the InChIKey of (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
The InChIKey is DYXWDZBLFZVLAN-JULHGLQNSA-N. The full InChI is InChI=1S/C24H40OSi/c1-9-12-13-14-15-16-17-18-22(25)24(19-10-2,26(6,7)8)21-20-23(4,5)11-3/h9,11,16,18,22,25H,1,3,12-15,20-21H2,2,4-8H3/t17?,22-,24+/m1/s1.
What are the key properties of (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol has a molecular weight of 372.67 g/mol, XLogP of 6.90, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol is sourced from PubChem (CID 134978481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).