acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol

C18H32O8 — CID 142603092

IUPACacetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol
SMILESC=O.CC.CC(=O)O.CC(=O)O.COC(C)=O.Cc1ccccc1CO
InChIInChI=1S/C8H10O.C3H6O2.2C2H4O2.C2H6.CH2O/c1-7-4-2-3-5-8(7)6-9;1-3(4)5-2;2*1-2(3)4;2*1-2/h2-5,9H,6H2,1H3;1-2H3;2*1H3,(H,3,4);1-2H3;1H2
InChIKeyRHRJATCIJWCCSN-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.69
Rot. Bonds1

About acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol

acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol (PubChem CID 142603092) has the molecular formula C18H32O8 and a molecular weight of 376.45 g/mol. Its IUPAC name is acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol.

Molecular Properties

Compound Nameacetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol
PubChem CID142603092
Molecular FormulaC18H32O8
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC Nameacetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol
SMILESC=O.CC.CC(=O)O.CC(=O)O.COC(C)=O.Cc1ccccc1CO
InChIInChI=1S/C8H10O.C3H6O2.2C2H4O2.C2H6.CH2O/c1-7-4-2-3-5-8(7)6-9;1-3(4)5-2;2*1-2(3)4;2*1-2/h2-5,9H,6H2,1H3;1-2H3;2*1H3,(H,3,4);1-2H3;1H2
InChIKeyRHRJATCIJWCCSN-UHFFFAOYSA-N
XLogP2.69
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol?
The IUPAC name of acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol (CID 142603092) is acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol.
What is the SMILES notation for acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol?
The canonical SMILES for acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol is C=O.CC.CC(=O)O.CC(=O)O.COC(C)=O.Cc1ccccc1CO.
What is the InChIKey of acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol?
The InChIKey is RHRJATCIJWCCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H6O2.2C2H4O2.C2H6.CH2O/c1-7-4-2-3-5-8(7)6-9;1-3(4)5-2;2*1-2(3)4;2*1-2/h2-5,9H,6H2,1H3;1-2H3;2*1H3,(H,3,4);1-2H3;1H2.
What are the key properties of acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol?
acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol has a molecular weight of 376.45 g/mol, XLogP of 2.69, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol is sourced from PubChem (CID 142603092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).