(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal

C14H28O2Si — CID 101391066

IUPAC(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O
InChIInChI=1S/C14H28O2Si/c1-8-9-13(12(2)10-11-15)16-17(6,7)14(3,4)5/h8-9,11-13H,10H2,1-7H3/b9-8+/t12-,13+/m1/s1
InChIKeyCTTFJIYPWVEPSM-VSONXHSHSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds6

About (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal

(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal (PubChem CID 101391066) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal.

Molecular Properties

Compound Name(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
PubChem CID101391066
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O
InChIInChI=1S/C14H28O2Si/c1-8-9-13(12(2)10-11-15)16-17(6,7)14(3,4)5/h8-9,11-13H,10H2,1-7H3/b9-8+/t12-,13+/m1/s1
InChIKeyCTTFJIYPWVEPSM-VSONXHSHSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(E,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3-trimethylsilyloxyoct-6-enal
CID 156686212
(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
CID 90951994
tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
CID 10266482
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 5371565
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
CID 159080452
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyltetradeca-2,4,10,12-tetraenal
CID 175929662
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
CID 175848206

Frequently Asked Questions

What is the IUPAC name of (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal?
The IUPAC name of (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal (CID 101391066) is (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal.
What is the SMILES notation for (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal?
The canonical SMILES for (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O.
What is the InChIKey of (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal?
The InChIKey is CTTFJIYPWVEPSM-VSONXHSHSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-9-13(12(2)10-11-15)16-17(6,7)14(3,4)5/h8-9,11-13H,10H2,1-7H3/b9-8+/t12-,13+/m1/s1.
What are the key properties of (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal?
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal has a molecular weight of 256.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal is sourced from PubChem (CID 101391066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).