(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol

C14H28O2Si — CID 135040202

IUPAC(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol
SMILESC=CC[C@H](O)CC(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-9-13(15)10-12(2)11-16-17(6,7)14(3,4)5/h8,13,15H,1-2,9-11H2,3-7H3/t13-/m0/s1
InChIKeyMYTLLBXWOBOOOB-ZDUSSCGKSA-N
MW256.46 g/mol
LogP3.89
Rot. Bonds7

About (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol

(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol (PubChem CID 135040202) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol
PubChem CID135040202
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol
SMILESC=CC[C@H](O)CC(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-9-13(15)10-12(2)11-16-17(6,7)14(3,4)5/h8,13,15H,1-2,9-11H2,3-7H3/t13-/m0/s1
InChIKeyMYTLLBXWOBOOOB-ZDUSSCGKSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
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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Related Compounds

(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
tert-butyl-[2-(iodomethyl)prop-2-enoxy]-dimethylsilane
CID 11358863
tert-butyl-dimethyl-(2-methylidenebut-3-enoxy)silane
CID 10058581
1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol
CID 10955810
3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-en-1-ol
CID 135040003
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol
CID 10682540
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
CID 10903884
methane;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate;methyl (3R)-3-hydroxyhex-5-enoate;methyl (3R)-3-hydroxy-5-oxohexanoate
CID 158941536
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol?
The IUPAC name of (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol (CID 135040202) is (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol?
The canonical SMILES for (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol is C=CC[C@H](O)CC(=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol?
The InChIKey is MYTLLBXWOBOOOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-9-13(15)10-12(2)11-16-17(6,7)14(3,4)5/h8,13,15H,1-2,9-11H2,3-7H3/t13-/m0/s1.
What are the key properties of (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol?
(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol has a molecular weight of 256.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 135040202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).