8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene

C15H24O2 — CID 3700025

IUPAC8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCCOC1CCC2C=CC=C(C(C)(C)C)C2O1
InChIInChI=1S/C15H24O2/c1-5-16-13-10-9-11-7-6-8-12(14(11)17-13)15(2,3)4/h6-8,11,13-14H,5,9-10H2,1-4H3
InChIKeyTXBIPZZBQVVPDF-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds2

About 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene

8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene (PubChem CID 3700025) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene.

Molecular Properties

Compound Name8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene
PubChem CID3700025
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCCOC1CCC2C=CC=C(C(C)(C)C)C2O1
InChIInChI=1S/C15H24O2/c1-5-16-13-10-9-11-7-6-8-12(14(11)17-13)15(2,3)4/h6-8,11,13-14H,5,9-10H2,1-4H3
InChIKeyTXBIPZZBQVVPDF-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
(1R,3R)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164673862
(1S,3R,4R,8S)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164680463
(1S,3R)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164681095
2-[(3,5,5-Trimethylcyclohex-2-en-1-yl)oxy]oxane
CID 330572
(4S)-4,7-dimethyl-3,4,8,8a-tetrahydro-2H-chromen-2-ol
CID 89017736
2-[5-(2,5,5-Trimethylhexan-3-yl)cyclohexa-2,4-dien-1-yl]oxyoxane
CID 123513585
5-[1-(Cyclohexylmethoxy)-3,3-dimethylbutoxy]-2-(3-methylbutyl)cyclohexa-1,3-diene
CID 145641490
5-[1-(2-Cyclohexylethoxy)ethoxy]-2-ethenylcyclohexa-1,3-diene
CID 155348368
(2R,3Z)-3-but-3-en-2-ylidene-2-methoxy-5-pentyloxane
CID 169939996
2,6-Dimethoxy-3-[(1-methoxycyclohexa-2,4-dien-1-yl)methyl]oxane
CID 177733705
8-tert-butyl-2-ethoxy-6-methyl-3,4,4a,8a-tetrahydro-2H-chromene
CID 3700777

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene?
The IUPAC name of 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene (CID 3700025) is 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene.
What is the SMILES notation for 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene?
The canonical SMILES for 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene is CCOC1CCC2C=CC=C(C(C)(C)C)C2O1.
What is the InChIKey of 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene?
The InChIKey is TXBIPZZBQVVPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-16-13-10-9-11-7-6-8-12(14(11)17-13)15(2,3)4/h6-8,11,13-14H,5,9-10H2,1-4H3.
What are the key properties of 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene?
8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene has a molecular weight of 236.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-ethoxy-3,4,4a,8a-tetrahydro-2H-chromene is sourced from PubChem (CID 3700025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).