benzaldehyde;ethane;propane

C14H26O — CID 91184446

IUPACbenzaldehyde;ethane;propane
SMILESCC.CC.CCC.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C3H8.2C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;2*1-2/h1-6H;3H2,1-2H3;2*1-2H3
InChIKeyGQLKFIFVAKKDJM-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.97
Rot. Bonds1

About benzaldehyde;ethane;propane

benzaldehyde;ethane;propane (PubChem CID 91184446) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is benzaldehyde;ethane;propane.

Molecular Properties

Compound Namebenzaldehyde;ethane;propane
PubChem CID91184446
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Namebenzaldehyde;ethane;propane
SMILESCC.CC.CCC.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C3H8.2C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;2*1-2/h1-6H;3H2,1-2H3;2*1-2H3
InChIKeyGQLKFIFVAKKDJM-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 54495732
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CID 161150062
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CID 142053607
benzaldehyde;hydrate
CID 86741597
benzaldehyde;ethene
CID 22005957
benzaldehyde;formamide
CID 87258384
benzaldehyde;ethane;hexan-2-one
CID 145294452
benzaldehyde;diethylboranyl acetate
CID 88818595
benzaldehyde;N-benzylethanamine
CID 22227487
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CID 163498156
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CID 174808118

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;ethane;propane?
The IUPAC name of benzaldehyde;ethane;propane (CID 91184446) is benzaldehyde;ethane;propane.
What is the SMILES notation for benzaldehyde;ethane;propane?
The canonical SMILES for benzaldehyde;ethane;propane is CC.CC.CCC.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;ethane;propane?
The InChIKey is GQLKFIFVAKKDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C3H8.2C2H6/c8-6-7-4-2-1-3-5-7;1-3-2;2*1-2/h1-6H;3H2,1-2H3;2*1-2H3.
What are the key properties of benzaldehyde;ethane;propane?
benzaldehyde;ethane;propane has a molecular weight of 210.36 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;ethane;propane is sourced from PubChem (CID 91184446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).