(4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol

C11H24OSi — CID 10559972

IUPAC(4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol
SMILESC=C(C[C@@H](O)[C@H](C)CC)[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-9(2)11(12)8-10(3)13(4,5)6/h9,11-12H,3,7-8H2,1-2,4-6H3/t9-,11-/m1/s1
InChIKeyMNQBBYTUCGJUAW-MWLCHTKSSA-N
MW200.40 g/mol
LogP3.22
Rot. Bonds5

About (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol

(4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol (PubChem CID 10559972) has the molecular formula C11H24OSi and a molecular weight of 200.40 g/mol. Its IUPAC name is (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol.

Molecular Properties

Compound Name(4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol
PubChem CID10559972
Molecular FormulaC11H24OSi
Molecular Weight200.40 g/mol
Exact Mass200.16
IUPAC Name(4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol
SMILESC=C(C[C@@H](O)[C@H](C)CC)[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-7-9(2)11(12)8-10(3)13(4,5)6/h9,11-12H,3,7-8H2,1-2,4-6H3/t9-,11-/m1/s1
InChIKeyMNQBBYTUCGJUAW-MWLCHTKSSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol?
The IUPAC name of (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol (CID 10559972) is (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol.
What is the SMILES notation for (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol?
The canonical SMILES for (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol is C=C(C[C@@H](O)[C@H](C)CC)[Si](C)(C)C.
What is the InChIKey of (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol?
The InChIKey is MNQBBYTUCGJUAW-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H24OSi/c1-7-9(2)11(12)8-10(3)13(4,5)6/h9,11-12H,3,7-8H2,1-2,4-6H3/t9-,11-/m1/s1.
What are the key properties of (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol?
(4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol has a molecular weight of 200.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-methyl-2-trimethylsilylhept-1-en-4-ol is sourced from PubChem (CID 10559972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).