2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde

C15H20O2 — CID 54333417

IUPAC2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
SMILESCc1cc(C)c2c(c1C)OC(C)(CC=O)CC2
InChIInChI=1S/C15H20O2/c1-10-9-11(2)13-5-6-15(4,7-8-16)17-14(13)12(10)3/h8-9H,5-7H2,1-4H3
InChIKeySZXSGZINVDFDIE-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.28
Rot. Bonds2

About 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde

2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde (PubChem CID 54333417) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
PubChem CID54333417
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
SMILESCc1cc(C)c2c(c1C)OC(C)(CC=O)CC2
InChIInChI=1S/C15H20O2/c1-10-9-11(2)13-5-6-15(4,7-8-16)17-14(13)12(10)3/h8-9H,5-7H2,1-4H3
InChIKeySZXSGZINVDFDIE-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.28
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-bromoethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 70347935
ethane;2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbaldehyde
CID 163276170
2-(2-ethoxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene
CID 142951829
[2,5,7,8-tetramethyl-2-(2-oxoethyl)-3,4-dihydrochromen-6-yl] acetate
CID 21432281
2,5,7,8-tetramethyl-2-(2-octadecoxyethyl)-3,4-dihydrochromene
CID 21274630
2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
CID 69454131
N-[2-(2-hydroxyethoxy)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 91302807
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
[2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2,2,2-trifluoroacetate
CID 91738490
2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene
CID 14210609
2,2,2-trifluoro-N-[2-[2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethynyl]phenyl]acetamide
CID 19784242
(2S)-2,5,8-trimethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 93481605

Frequently Asked Questions

What is the IUPAC name of 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde?
The IUPAC name of 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde (CID 54333417) is 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde?
The canonical SMILES for 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde is Cc1cc(C)c2c(c1C)OC(C)(CC=O)CC2.
What is the InChIKey of 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde?
The InChIKey is SZXSGZINVDFDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-9-11(2)13-5-6-15(4,7-8-16)17-14(13)12(10)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde?
2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde is sourced from PubChem (CID 54333417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).