(3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol

C19H34O3Si — CID 11631456

IUPAC(3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol
SMILESC#C/C=C\C[C@H](O)C(C)(C)[C@H](/C=C/C)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H34O3Si/c1-8-10-11-13-17(20)19(3,4)18(12-9-2)22-16-21-14-15-23(5,6)7/h1,9-12,17-18,20H,13-16H2,2-7H3/b11-10-,12-9+/t17-,18-/m0/s1
InChIKeyMXXFODNVOCWZBA-DSLRBPKUSA-N
MW338.56 g/mol
LogP4.23
Rot. Bonds11

About (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol

(3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol (PubChem CID 11631456) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol.

Molecular Properties

Compound Name(3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol
PubChem CID11631456
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name(3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol
SMILESC#C/C=C\C[C@H](O)C(C)(C)[C@H](/C=C/C)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H34O3Si/c1-8-10-11-13-17(20)19(3,4)18(12-9-2)22-16-21-14-15-23(5,6)7/h1,9-12,17-18,20H,13-16H2,2-7H3/b11-10-,12-9+/t17-,18-/m0/s1
InChIKeyMXXFODNVOCWZBA-DSLRBPKUSA-N
XLogP4.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol?
The IUPAC name of (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol (CID 11631456) is (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol.
What is the SMILES notation for (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol?
The canonical SMILES for (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol is C#C/C=C\C[C@H](O)C(C)(C)[C@H](/C=C/C)OCOCC[Si](C)(C)C.
What is the InChIKey of (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol?
The InChIKey is MXXFODNVOCWZBA-DSLRBPKUSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-8-10-11-13-17(20)19(3,4)18(12-9-2)22-16-21-14-15-23(5,6)7/h1,9-12,17-18,20H,13-16H2,2-7H3/b11-10-,12-9+/t17-,18-/m0/s1.
What are the key properties of (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol?
(3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol has a molecular weight of 338.56 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S,8S,9E)-7,7-dimethyl-8-(2-trimethylsilylethoxymethoxy)undeca-3,9-dien-1-yn-6-ol is sourced from PubChem (CID 11631456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).