(5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol

C20H34OSi — CID 134978482

IUPAC(5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol
SMILESC=CC(C)(C)CC[C@@](C#CC)([C@H](O)C=C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C20H34OSi/c1-10-14-20(22(7,8)9,16-15-19(5,6)11-2)18(21)13-12-17(3)4/h11,13,18,21H,2,15-16H2,1,3-9H3/t18-,20+/m1/s1
InChIKeyPZPGNTUBCYYQKB-QUCCMNQESA-N
MW318.58 g/mol
LogP5.56
Rot. Bonds7

About (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol

(5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol (PubChem CID 134978482) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol.

Molecular Properties

Compound Name(5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol
PubChem CID134978482
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Name(5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol
SMILESC=CC(C)(C)CC[C@@](C#CC)([C@H](O)C=C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C20H34OSi/c1-10-14-20(22(7,8)9,16-15-19(5,6)11-2)18(21)13-12-17(3)4/h11,13,18,21H,2,15-16H2,1,3-9H3/t18-,20+/m1/s1
InChIKeyPZPGNTUBCYYQKB-QUCCMNQESA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol 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

(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
CID 15778100
(6R,7R)-3,3-dimethyl-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
CID 134978481
(5R,6R)-2-methyl-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol
CID 10427633
(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol
CID 10449336

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol?
The IUPAC name of (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol (CID 134978482) is (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol.
What is the SMILES notation for (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol?
The canonical SMILES for (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol is C=CC(C)(C)CC[C@@](C#CC)([C@H](O)C=C=C(C)C)[Si](C)(C)C.
What is the InChIKey of (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol?
The InChIKey is PZPGNTUBCYYQKB-QUCCMNQESA-N. The full InChI is InChI=1S/C20H34OSi/c1-10-14-20(22(7,8)9,16-15-19(5,6)11-2)18(21)13-12-17(3)4/h11,13,18,21H,2,15-16H2,1,3-9H3/t18-,20+/m1/s1.
What are the key properties of (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol?
(5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol has a molecular weight of 318.58 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-2,9,9-trimethyl-6-prop-1-ynyl-6-trimethylsilylundeca-2,3,10-trien-5-ol is sourced from PubChem (CID 134978482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).