(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol

C18H36O2Si — CID 11209176

IUPAC(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
SMILESC=C[C@H](C)[C@H](O)/C=C(/C[C@H](O)CCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-9-11-15(19)12-16(13-17(20)14(3)10-2)21(7,8)18(4,5)6/h10,13-15,17,19-20H,2,9,11-12H2,1,3-8H3/b16-13-/t14-,15+,17+/m0/s1
InChIKeyBOAMEZSIOIAJLM-SMGOZAFGSA-N
MW312.57 g/mol
LogP4.69
Rot. Bonds8

About (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol

(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol (PubChem CID 11209176) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol.

Molecular Properties

Compound Name(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
PubChem CID11209176
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
SMILESC=C[C@H](C)[C@H](O)/C=C(/C[C@H](O)CCC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-9-11-15(19)12-16(13-17(20)14(3)10-2)21(7,8)18(4,5)6/h10,13-15,17,19-20H,2,9,11-12H2,1,3-8H3/b16-13-/t14-,15+,17+/m0/s1
InChIKeyBOAMEZSIOIAJLM-SMGOZAFGSA-N
XLogP4.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol?
The IUPAC name of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol (CID 11209176) is (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol.
What is the SMILES notation for (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol?
The canonical SMILES for (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol is C=C[C@H](C)[C@H](O)/C=C(/C[C@H](O)CCC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol?
The InChIKey is BOAMEZSIOIAJLM-SMGOZAFGSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-9-11-15(19)12-16(13-17(20)14(3)10-2)21(7,8)18(4,5)6/h10,13-15,17,19-20H,2,9,11-12H2,1,3-8H3/b16-13-/t14-,15+,17+/m0/s1.
What are the key properties of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol?
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol has a molecular weight of 312.57 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol is sourced from PubChem (CID 11209176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).