3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal

C14H18O2 — CID 117311200

IUPAC3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal
SMILESCC1(C)CCc2cccc(CCC=O)c2O1
InChIInChI=1S/C14H18O2/c1-14(2)9-8-12-6-3-5-11(7-4-10-15)13(12)16-14/h3,5-6,10H,4,7-9H2,1-2H3
InChIKeyONHKUDOPMMOBPT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.92
Rot. Bonds3

About 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal

3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal (PubChem CID 117311200) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal
PubChem CID117311200
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal
SMILESCC1(C)CCc2cccc(CCC=O)c2O1
InChIInChI=1S/C14H18O2/c1-14(2)9-8-12-6-3-5-11(7-4-10-15)13(12)16-14/h3,5-6,10H,4,7-9H2,1-2H3
InChIKeyONHKUDOPMMOBPT-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-2-amine
CID 117313385
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid
CID 117410558
3-(4H-1,3-benzodioxin-8-yl)propanal
CID 117282869
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
CID 64865774
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)butanoic acid
CID 64507705
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid
CID 117367979
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine
CID 84673537
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanoic acid
CID 117376381
6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene
CID 45255786
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 64865805

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal?
The IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal (CID 117311200) is 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal.
What is the SMILES notation for 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal?
The canonical SMILES for 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal is CC1(C)CCc2cccc(CCC=O)c2O1.
What is the InChIKey of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal?
The InChIKey is ONHKUDOPMMOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)9-8-12-6-3-5-11(7-4-10-15)13(12)16-14/h3,5-6,10H,4,7-9H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal?
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal has a molecular weight of 218.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal is sourced from PubChem (CID 117311200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).