(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol

C18H37IO2Si — CID 135015260

IUPAC(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol
SMILESCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(I)=C/CO
InChIInChI=1S/C18H37IO2Si/c1-7-8-9-10-11-12-13-17(16(19)14-15-20)21-22(5,6)18(2,3)4/h14,17,20H,7-13,15H2,1-6H3/b16-14-/t17-/m1/s1
InChIKeyVPPIWBRBGAPOIR-YHKKIHSWSA-N
MW440.48 g/mol
LogP6.44
Rot. Bonds11

About (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol

(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol (PubChem CID 135015260) has the molecular formula C18H37IO2Si and a molecular weight of 440.48 g/mol. Its IUPAC name is (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol.

Molecular Properties

Compound Name(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol
PubChem CID135015260
Molecular FormulaC18H37IO2Si
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol
SMILESCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(I)=C/CO
InChIInChI=1S/C18H37IO2Si/c1-7-8-9-10-11-12-13-17(16(19)14-15-20)21-22(5,6)18(2,3)4/h14,17,20H,7-13,15H2,1-6H3/b16-14-/t17-/m1/s1
InChIKeyVPPIWBRBGAPOIR-YHKKIHSWSA-N
XLogP6.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol
CID 11167454
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881
tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
CID 134846992
(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one
CID 134873855
(Z)-6-trimethylsilyltetradec-5-en-7-ol
CID 134931656
(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-2-en-1-ol
CID 134995128
(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol
CID 135007562
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylnon-2-en-1-ol
CID 135053771

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol?
The IUPAC name of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol (CID 135015260) is (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol.
What is the SMILES notation for (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol?
The canonical SMILES for (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol is CCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(I)=C/CO.
What is the InChIKey of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol?
The InChIKey is VPPIWBRBGAPOIR-YHKKIHSWSA-N. The full InChI is InChI=1S/C18H37IO2Si/c1-7-8-9-10-11-12-13-17(16(19)14-15-20)21-22(5,6)18(2,3)4/h14,17,20H,7-13,15H2,1-6H3/b16-14-/t17-/m1/s1.
What are the key properties of (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol?
(Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol has a molecular weight of 440.48 g/mol, XLogP of 6.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodododec-2-en-1-ol is sourced from PubChem (CID 135015260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).