(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol

C17H30OSi — CID 134964317

IUPAC(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
SMILESC=C(C[C@H](O)C#C[Si](C)(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C17H30OSi/c1-14(2)9-8-10-15(3)16(4)13-17(18)11-12-19(5,6)7/h9,15,17-18H,4,8,10,13H2,1-3,5-7H3/t15-,17-/m1/s1
InChIKeyBCGRDKPOQPGKBH-NVXWUHKLSA-N
MW278.51 g/mol
LogP4.56
Rot. Bonds6

About (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol

(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol (PubChem CID 134964317) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol.

Molecular Properties

Compound Name(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
PubChem CID134964317
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
SMILESC=C(C[C@H](O)C#C[Si](C)(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C17H30OSi/c1-14(2)9-8-10-15(3)16(4)13-17(18)11-12-19(5,6)7/h9,15,17-18H,4,8,10,13H2,1-3,5-7H3/t15-,17-/m1/s1
InChIKeyBCGRDKPOQPGKBH-NVXWUHKLSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.56
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol?
The IUPAC name of (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol (CID 134964317) is (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol.
What is the SMILES notation for (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol?
The canonical SMILES for (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol is C=C(C[C@H](O)C#C[Si](C)(C)C)[C@H](C)CCC=C(C)C.
What is the InChIKey of (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol?
The InChIKey is BCGRDKPOQPGKBH-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H30OSi/c1-14(2)9-8-10-15(3)16(4)13-17(18)11-12-19(5,6)7/h9,15,17-18H,4,8,10,13H2,1-3,5-7H3/t15-,17-/m1/s1.
What are the key properties of (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol?
(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol has a molecular weight of 278.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol is sourced from PubChem (CID 134964317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).