(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol

C18H38O3Si — CID 10853935

IUPAC(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol
SMILESCCCC[C@H](O)[C@@H](O)/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-7-8-13-16(19)17(20)14-11-9-10-12-15-21-22(5,6)18(2,3)4/h11,14,16-17,19-20H,7-10,12-13,15H2,1-6H3/b14-11-/t16-,17-/m0/s1
InChIKeyLFDSSWKSYOZFTM-VCRPMBEMSA-N
MW330.59 g/mol
LogP4.65
Rot. Bonds11

About (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol

(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol (PubChem CID 10853935) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol.

Molecular Properties

Compound Name(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol
PubChem CID10853935
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol
SMILESCCCC[C@H](O)[C@@H](O)/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-7-8-13-16(19)17(20)14-11-9-10-12-15-21-22(5,6)18(2,3)4/h11,14,16-17,19-20H,7-10,12-13,15H2,1-6H3/b14-11-/t16-,17-/m0/s1
InChIKeyLFDSSWKSYOZFTM-VCRPMBEMSA-N
XLogP4.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.65
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol
CID 10555379
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
[(Z,5S,6S)-6-acetyloxy-12-[tert-butyl(dimethyl)silyl]oxydodec-7-en-5-yl] acetate
CID 10573856
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol
CID 10815797
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132

Frequently Asked Questions

What is the IUPAC name of (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol?
The IUPAC name of (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol (CID 10853935) is (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol.
What is the SMILES notation for (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol?
The canonical SMILES for (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol is CCCC[C@H](O)[C@@H](O)/C=C\CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol?
The InChIKey is LFDSSWKSYOZFTM-VCRPMBEMSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-7-8-13-16(19)17(20)14-11-9-10-12-15-21-22(5,6)18(2,3)4/h11,14,16-17,19-20H,7-10,12-13,15H2,1-6H3/b14-11-/t16-,17-/m0/s1.
What are the key properties of (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol?
(Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol has a molecular weight of 330.59 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S,6S)-12-[tert-butyl(dimethyl)silyl]oxydodec-7-ene-5,6-diol is sourced from PubChem (CID 10853935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).