formaldehyde;1,2,3,4,5-pentamethylbenzene

C12H18O — CID 162197138

IUPACformaldehyde;1,2,3,4,5-pentamethylbenzene
SMILESC=O.Cc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C11H16.CH2O/c1-7-6-8(2)10(4)11(5)9(7)3;1-2/h6H,1-5H3;1H2
InChIKeyZRBZDHIHXFJIHJ-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.04
Rot. Bonds

About formaldehyde;1,2,3,4,5-pentamethylbenzene

formaldehyde;1,2,3,4,5-pentamethylbenzene (PubChem CID 162197138) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is formaldehyde;1,2,3,4,5-pentamethylbenzene.

Molecular Properties

Compound Nameformaldehyde;1,2,3,4,5-pentamethylbenzene
PubChem CID162197138
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Nameformaldehyde;1,2,3,4,5-pentamethylbenzene
SMILESC=O.Cc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C11H16.CH2O/c1-7-6-8(2)10(4)11(5)9(7)3;1-2/h6H,1-5H3;1H2
InChIKeyZRBZDHIHXFJIHJ-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 175557978
CID 175557978
benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane
CID 91269426
CID 174455312
CID 174455312
(2,3,5-trimethyl-6-phosphanylphenyl)phosphane
CID 170407297
2,3,4,6-tetramethylaniline;hydrochloride
CID 173462147
1,2,3,4-tetramethyl-5-[2-(2,3,4,5-tetramethylphenyl)ethyl]benzene
CID 19828908
1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 23533123
2,3,5,6-tetramethylaniline
CID 3456097
(2,3,5,6-tetramethylphenyl)silane
CID 101343850
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
ethane;1,2,3,5-tetramethyl-4-prop-1-en-2-ylbenzene
CID 142349539
1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene
CID 159634644

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1,2,3,4,5-pentamethylbenzene?
The IUPAC name of formaldehyde;1,2,3,4,5-pentamethylbenzene (CID 162197138) is formaldehyde;1,2,3,4,5-pentamethylbenzene.
What is the SMILES notation for formaldehyde;1,2,3,4,5-pentamethylbenzene?
The canonical SMILES for formaldehyde;1,2,3,4,5-pentamethylbenzene is C=O.Cc1cc(C)c(C)c(C)c1C.
What is the InChIKey of formaldehyde;1,2,3,4,5-pentamethylbenzene?
The InChIKey is ZRBZDHIHXFJIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.CH2O/c1-7-6-8(2)10(4)11(5)9(7)3;1-2/h6H,1-5H3;1H2.
What are the key properties of formaldehyde;1,2,3,4,5-pentamethylbenzene?
formaldehyde;1,2,3,4,5-pentamethylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,2,3,4,5-pentamethylbenzene is sourced from PubChem (CID 162197138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).