ethylbenzene;2-methyloxane

C14H22O — CID 159203752

IUPACethylbenzene;2-methyloxane
SMILESCC1CCCCO1.CCc1ccccc1
InChIInChI=1S/C8H10.C6H12O/c1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-7-6/h3-7H,2H2,1H3;6H,2-5H2,1H3
InChIKeyKPPPGWVPPFTJCB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.82
Rot. Bonds1

About ethylbenzene;2-methyloxane

ethylbenzene;2-methyloxane (PubChem CID 159203752) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is ethylbenzene;2-methyloxane.

Molecular Properties

Compound Nameethylbenzene;2-methyloxane
PubChem CID159203752
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nameethylbenzene;2-methyloxane
SMILESCC1CCCCO1.CCc1ccccc1
InChIInChI=1S/C8H10.C6H12O/c1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-7-6/h3-7H,2H2,1H3;6H,2-5H2,1H3
InChIKeyKPPPGWVPPFTJCB-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-methyloxane?
The IUPAC name of ethylbenzene;2-methyloxane (CID 159203752) is ethylbenzene;2-methyloxane.
What is the SMILES notation for ethylbenzene;2-methyloxane?
The canonical SMILES for ethylbenzene;2-methyloxane is CC1CCCCO1.CCc1ccccc1.
What is the InChIKey of ethylbenzene;2-methyloxane?
The InChIKey is KPPPGWVPPFTJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H12O/c1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-7-6/h3-7H,2H2,1H3;6H,2-5H2,1H3.
What are the key properties of ethylbenzene;2-methyloxane?
ethylbenzene;2-methyloxane has a molecular weight of 206.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-methyloxane is sourced from PubChem (CID 159203752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).