(2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane

C14H28OSi — CID 102130501

IUPAC(2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane
SMILESC=C1OC(CCCCCCC)C1[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
InChIKeyQZJUGFGEKPVKOW-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.97
Rot. Bonds7

About (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane

(2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane (PubChem CID 102130501) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane
PubChem CID102130501
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane
SMILESC=C1OC(CCCCCCC)C1[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
InChIKeyQZJUGFGEKPVKOW-UHFFFAOYSA-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

(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
(3aR,4R,6aR)-3,6-dimethylidene-4-octyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2-one
CID 122606318
2-butyl-3-undecyloxirane
CID 88518775
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977
2-ethyl-3-henicosyloxirane
CID 20501424
trimethyl-[(2S,3S)-3-pentyloxiran-2-yl]silane
CID 14216563
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054

Frequently Asked Questions

What is the IUPAC name of (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane?
The IUPAC name of (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane (CID 102130501) is (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane.
What is the SMILES notation for (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane?
The canonical SMILES for (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane is C=C1OC(CCCCCCC)C1[Si](C)(C)C.
What is the InChIKey of (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane?
The InChIKey is QZJUGFGEKPVKOW-UHFFFAOYSA-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.
What are the key properties of (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane?
(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 (2-heptyl-4-methylideneoxetan-3-yl)-trimethylsilane is sourced from PubChem (CID 102130501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).