(3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol

C15H28OSi — CID 91239160

IUPAC(3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol
SMILESC#C[C@H](O)C=CCCCCCCC[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-15(16)13-11-9-7-6-8-10-12-14-17(2,3)4/h1,11,13,15-16H,6-10,12,14H2,2-4H3/t15-/m0/s1
InChIKeyCBPCTBMORUPXCS-HNNXBMFYSA-N
MW252.47 g/mol
LogP4.22
Rot. Bonds9

About (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol

(3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol (PubChem CID 91239160) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol
PubChem CID91239160
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol
SMILESC#C[C@H](O)C=CCCCCCCC[Si](C)(C)C
InChIInChI=1S/C15H28OSi/c1-5-15(16)13-11-9-7-6-8-10-12-14-17(2,3)4/h1,11,13,15-16H,6-10,12,14H2,2-4H3/t15-/m0/s1
InChIKeyCBPCTBMORUPXCS-HNNXBMFYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.22
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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Related Compounds

(3S,4E,15Z)-docosa-4,15-dien-1-yn-3-ol
CID 5469777
Ginsenoyne J
CID 131752800
(E,3S)-icos-4-en-1-yn-3-ol
CID 5469791
(E)-icos-4-en-1-yn-3-ol
CID 5353336
(E,3S)-henicos-4-en-1-yn-3-ol
CID 5469782
(3R,4E,15E)-docosa-4,15-dien-1-yn-3-ol
CID 10403623
(E)-undec-4-en-1-yn-3-ol
CID 71745536
4,15-Docosadien-1-yn-3-ol
CID 1664
(3S,6S,7Z)-pentadeca-1,7-dien-4-yne-3,6-diol
CID 139383132
Henicos-4-en-1-yn-3-ol
CID 1666
(E,3S)-icos-4-en-1,14,19-triyn-3-ol
CID 162817405
(3R,4E,9Z)-1,4,9-Heptadecatrien-6-yn-3-ol
CID 162966473

Frequently Asked Questions

What is the IUPAC name of (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol?
The IUPAC name of (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol (CID 91239160) is (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol.
What is the SMILES notation for (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol?
The canonical SMILES for (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol is C#C[C@H](O)C=CCCCCCCC[Si](C)(C)C.
What is the InChIKey of (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol?
The InChIKey is CBPCTBMORUPXCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-5-15(16)13-11-9-7-6-8-10-12-14-17(2,3)4/h1,11,13,15-16H,6-10,12,14H2,2-4H3/t15-/m0/s1.
What are the key properties of (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol?
(3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol has a molecular weight of 252.47 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol is sourced from PubChem (CID 91239160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).