ethane;1-ethyl-3-methylbenzene;formaldehyde

C14H26O — CID 172563625

IUPACethane;1-ethyl-3-methylbenzene;formaldehyde
SMILESC=O.CC.CC.CCc1cccc(C)c1
InChIInChI=1S/C9H12.2C2H6.CH2O/c1-3-9-6-4-5-8(2)7-9;3*1-2/h4-7H,3H2,1-2H3;2*1-2H3;1H2
InChIKeyIDVVIQKNOUFWJA-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.42
Rot. Bonds1

About ethane;1-ethyl-3-methylbenzene;formaldehyde

ethane;1-ethyl-3-methylbenzene;formaldehyde (PubChem CID 172563625) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylbenzene;formaldehyde.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylbenzene;formaldehyde
PubChem CID172563625
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nameethane;1-ethyl-3-methylbenzene;formaldehyde
SMILESC=O.CC.CC.CCc1cccc(C)c1
InChIInChI=1S/C9H12.2C2H6.CH2O/c1-3-9-6-4-5-8(2)7-9;3*1-2/h4-7H,3H2,1-2H3;2*1-2H3;1H2
InChIKeyIDVVIQKNOUFWJA-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.42
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 ethane;1-ethyl-3-methylbenzene;formaldehyde?
The IUPAC name of ethane;1-ethyl-3-methylbenzene;formaldehyde (CID 172563625) is ethane;1-ethyl-3-methylbenzene;formaldehyde.
What is the SMILES notation for ethane;1-ethyl-3-methylbenzene;formaldehyde?
The canonical SMILES for ethane;1-ethyl-3-methylbenzene;formaldehyde is C=O.CC.CC.CCc1cccc(C)c1.
What is the InChIKey of ethane;1-ethyl-3-methylbenzene;formaldehyde?
The InChIKey is IDVVIQKNOUFWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C2H6.CH2O/c1-3-9-6-4-5-8(2)7-9;3*1-2/h4-7H,3H2,1-2H3;2*1-2H3;1H2.
What are the key properties of ethane;1-ethyl-3-methylbenzene;formaldehyde?
ethane;1-ethyl-3-methylbenzene;formaldehyde has a molecular weight of 210.36 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methylbenzene;formaldehyde is sourced from PubChem (CID 172563625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).