[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane

C16H33IOSi — CID 90772091

IUPAC[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC[C@@H](C=CCCI)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33IOSi/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3/t16-/m0/s1
InChIKeyUGBZXYIQWDPTQX-INIZCTEOSA-N
MW396.43 g/mol
LogP6.34
Rot. Bonds9

About [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane

[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 90772091) has the molecular formula C16H33IOSi and a molecular weight of 396.43 g/mol. Its IUPAC name is [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID90772091
Molecular FormulaC16H33IOSi
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Name[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC[C@@H](C=CCCI)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33IOSi/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3/t16-/m0/s1
InChIKeyUGBZXYIQWDPTQX-INIZCTEOSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 87999521
[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane
CID 10927345
(E,7S)-1-[(2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-2-yl]-7-tri(propan-2-yl)silyloxynon-5-en-2-one
CID 101499757
(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-2-yl]hept-5-en-2-ol
CID 10906996
2,6-dihydroperoxyoct-4-ene
CID 159836227
(Z)-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
CID 139691180
trimethyl-[(E)-non-5-en-4-yl]oxysilane
CID 10420809
3-tri(propan-2-yl)silyloxybutanal
CID 46210548
5-hept-4-en-3-yloxyhept-3-ene
CID 173176301
(E)-7-iodo-5-tri(propan-2-yl)silyloxyhept-6-enoic acid
CID 174144541
[(2R)-5-hydroxypentan-2-yl] (E,3S)-5-iodo-3-tri(propan-2-yl)silyloxypent-4-enoate
CID 66552943
methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate
CID 10882459

Frequently Asked Questions

What is the IUPAC name of [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane (CID 90772091) is [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane is CC[C@@H](C=CCCI)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is UGBZXYIQWDPTQX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H33IOSi/c1-8-16(11-9-10-12-17)18-19(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3/t16-/m0/s1.
What are the key properties of [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane?
[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 396.43 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 90772091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).