2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol

C11H22OSi — CID 12026104

IUPAC2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol
SMILESCC=C=C(C(O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-10(13(4,5)6)11(12)9(2)3/h7,9,11-12H,1-6H3
InChIKeyCIGKGZWKUNVOJH-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.98
Rot. Bonds3

About 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol

2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol (PubChem CID 12026104) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol.

Molecular Properties

Compound Name2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol
PubChem CID12026104
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol
SMILESCC=C=C(C(O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-10(13(4,5)6)11(12)9(2)3/h7,9,11-12H,1-6H3
InChIKeyCIGKGZWKUNVOJH-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
2,6-Dimethylhepta-4,5-dien-3-ol
CID 12251372
1-Penten-3-ol, 4,4-dimethyl-2-(trimethylsilyl)-
CID 12294498
4-Methyl-2-(trimethylsilyl)pent-1-en-3-ol
CID 12425965
2,7-Dimethylocta-4,5-dien-3-ol
CID 12555436
2,6-Dimethylocta-4,5-dien-3-ol
CID 12555439
2,6,7-Trimethylocta-4,5-dien-3-ol
CID 12555442
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol?
The IUPAC name of 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol (CID 12026104) is 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol.
What is the SMILES notation for 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol?
The canonical SMILES for 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol is CC=C=C(C(O)C(C)C)[Si](C)(C)C.
What is the InChIKey of 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol?
The InChIKey is CIGKGZWKUNVOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-7-8-10(13(4,5)6)11(12)9(2)3/h7,9,11-12H,1-6H3.
What are the key properties of 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol?
2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol has a molecular weight of 198.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylsilylhepta-4,5-dien-3-ol is sourced from PubChem (CID 12026104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).