(3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol

C13H24OSi — CID 15722615

IUPAC(3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol
SMILESC=C[C@](C)([C@H](O)C=C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-8-13(4,15(5,6)7)12(14)10-9-11(2)3/h8,10,12,14H,1H2,2-7H3/t12-,13-/m1/s1
InChIKeyMXWMXIQEVXKORV-CHWSQXEVSA-N
MW224.42 g/mol
LogP3.75
Rot. Bonds4

About (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol

(3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol (PubChem CID 15722615) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol.

Molecular Properties

Compound Name(3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol
PubChem CID15722615
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol
SMILESC=C[C@](C)([C@H](O)C=C=C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-8-13(4,15(5,6)7)12(14)10-9-11(2)3/h8,10,12,14H,1H2,2-7H3/t12-,13-/m1/s1
InChIKeyMXWMXIQEVXKORV-CHWSQXEVSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.75
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'}

Analyze (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-5-trimethylsilylpent-4-en-2-ol
CID 11480588
(3R)-2-methyl-4-trimethylsilylhexa-4,5-dien-3-ol
CID 10487753
4,5-Hexadien-3-ol, 2,2-dimethyl-4-(trimethylsilyl)-, (3R)-
CID 10750487
2-Methyl-4-trimethylsilylhepta-4,5-dien-3-ol
CID 12026104
4-Methyl-2-(trimethylsilyl)pent-1-en-3-ol
CID 12425965
3-Buten-2-ol, 3-methyl-1-(trimethylsilyl)-
CID 12892703
(1E)-4-methyl-1-trimethylsilylpenta-1,4-dien-3-ol
CID 12935877
2,2-Dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol
CID 13211413
2-Methyl-4-(trimethylsilyl)nona-4,5-dien-3-ol
CID 13211417
3-Trimethylsilylocta-3,4-dien-2-ol
CID 13567508
(5R,6R)-2,6-dimethyl-6-trimethylsilylnona-2,3-dien-7-yn-5-ol
CID 15721119
(5R,6R,7Z)-2,6-dimethyl-6-trimethylsilylnona-2,3,7-trien-5-ol
CID 15722617

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol?
The IUPAC name of (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol (CID 15722615) is (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol.
What is the SMILES notation for (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol?
The canonical SMILES for (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol is C=C[C@](C)([C@H](O)C=C=C(C)C)[Si](C)(C)C.
What is the InChIKey of (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol?
The InChIKey is MXWMXIQEVXKORV-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H24OSi/c1-8-13(4,15(5,6)7)12(14)10-9-11(2)3/h8,10,12,14H,1H2,2-7H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol?
(3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol has a molecular weight of 224.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,7-dimethyl-3-trimethylsilylocta-1,5,6-trien-4-ol is sourced from PubChem (CID 15722615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).