ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde

C16H24O2 — CID 163276170

IUPACethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde
SMILESCC.Cc1cc(C)c2c(c1C)OC(C)(C=O)CC2
InChIInChI=1S/C14H18O2.C2H6/c1-9-7-10(2)12-5-6-14(4,8-15)16-13(12)11(9)3;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyPZOJPFLFIHZYTJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.92
Rot. Bonds1

About ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde

ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde (PubChem CID 163276170) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde.

Molecular Properties

Compound Nameethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde
PubChem CID163276170
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Nameethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde
SMILESCC.Cc1cc(C)c2c(c1C)OC(C)(C=O)CC2
InChIInChI=1S/C14H18O2.C2H6/c1-9-7-10(2)12-5-6-14(4,8-15)16-13(12)11(9)3;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyPZOJPFLFIHZYTJ-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.92
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

2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
CID 54333417
2-(2-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 70347935
2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
CID 69454131
2-(2-ethoxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 142951829
N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 91302807
(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromene-2-carbaldehyde;[(2S)-2,5,7,8-tetramethyl-6-phosphanyloxy-3,4-dihydrochromen-2-yl]methanol
CID 161452701
2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene
CID 21274630
(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
CID 88857910
N-(2-formyl-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl)acetamide
CID 19078578
2,2,5,6,7-pentamethyl-3,4-dihydrochromene
CID 58669353
2,2,4,5,7-pentamethyl-3H-1-benzofuran
CID 19047070
2,2,2-trifluoro-N-[2-[2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethynyl]phenyl]acetamide
CID 19784242

Frequently Asked Questions

What is the IUPAC name of ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde?
The IUPAC name of ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde (CID 163276170) is ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde.
What is the SMILES notation for ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde?
The canonical SMILES for ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde is CC.Cc1cc(C)c2c(c1C)OC(C)(C=O)CC2.
What is the InChIKey of ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde?
The InChIKey is PZOJPFLFIHZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2.C2H6/c1-9-7-10(2)12-5-6-14(4,8-15)16-13(12)11(9)3;1-2/h7-8H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde?
ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde has a molecular weight of 248.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde is sourced from PubChem (CID 163276170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).