[(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane

C14H28OSi — CID 72735703

IUPAC[(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane
SMILESC=C1O[C@@H](CCCCCCC)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-6-7-8-9-10-11-13-14(12(2)15-13)16(3,4)5/h13-14H,2,6-11H2,1,3-5H3/t13-,14+/m0/s1
InChIKeyQZJUGFGEKPVKOW-UONOGXRCSA-N
MW240.46 g/mol
LogP4.97
Rot. Bonds7

About [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane

[(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane (PubChem CID 72735703) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane
PubChem CID72735703
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name[(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane
SMILESC=C1O[C@@H](CCCCCCC)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-6-7-8-9-10-11-13-14(12(2)15-13)16(3,4)5/h13-14H,2,6-11H2,1,3-5H3/t13-,14+/m0/s1
InChIKeyQZJUGFGEKPVKOW-UONOGXRCSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylidene-4-nonyloxetane
CID 102089325
2-Methylidene-4-undecyloxetane
CID 102089329
trimethyl-[(Z)-2-propan-2-yloxyoct-1-enyl]silane
CID 15339431
[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-trimethylsilane
CID 72735522
[(2S,3R)-2-cyclohexyl-4-methylideneoxetan-3-yl]-trimethylsilane
CID 72735701
[(2S,3R)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane
CID 72735704
(2-Cyclohexyl-4-methylideneoxetan-3-yl)-trimethylsilane
CID 102130499
(2-Heptyl-4-methylideneoxetan-3-yl)-trimethylsilane
CID 102130501
(2-Butyl-4-methylideneoxetan-3-yl)-trimethylsilane
CID 102130502
trimethyl-[(E)-2-propan-2-yloxyoct-1-enyl]silane
CID 102328769

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane?
The IUPAC name of [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane (CID 72735703) is [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane?
The canonical SMILES for [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane is C=C1O[C@@H](CCCCCCC)[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane?
The InChIKey is QZJUGFGEKPVKOW-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28OSi/c1-6-7-8-9-10-11-13-14(12(2)15-13)16(3,4)5/h13-14H,2,6-11H2,1,3-5H3/t13-,14+/m0/s1.
What are the key properties of [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane?
[(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-heptyl-4-methylideneoxetan-3-yl]-trimethylsilane is sourced from PubChem (CID 72735703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).