2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene

C14H24O — CID 573164

IUPAC2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene
SMILESCC1=C(C)OC2(C)CCCC(C)(C)C2C1
InChIInChI=1S/C14H24O/c1-10-9-12-13(3,4)7-6-8-14(12,5)15-11(10)2/h12H,6-9H2,1-5H3
InChIKeyMHXXDEIASCMYOI-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.29
Rot. Bonds

About 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene

2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene (PubChem CID 573164) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene.

Molecular Properties

Compound Name2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene
PubChem CID573164
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene
SMILESCC1=C(C)OC2(C)CCCC(C)(C)C2C1
InChIInChI=1S/C14H24O/c1-10-9-12-13(3,4)7-6-8-14(12,5)15-11(10)2/h12H,6-9H2,1-5H3
InChIKeyMHXXDEIASCMYOI-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
CID 10085530
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-2-one
CID 12742959
(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene
CID 11448727
(4aS,8aS)-2-(4-fluorophenyl)-5,5,8a-trimethyl-3-(4-methylphenyl)sulfonyl-4a,6,7,8-tetrahydro-4H-chromene
CID 132543922
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
CID 7057250
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 19873304
(4aS,8aS)-5,5,8a-trimethyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-4a,6,7,8-tetrahydro-4H-chromene
CID 132543924
2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene
CID 605619
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 159370591
(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydronaphtho[2,1-d][1,3]dioxin-3-one
CID 71580669
2-(3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-ylidene)butane-1,4-diol
CID 163105655
(4aS,8aR)-2-methoxy-3,3,5,5,8a-pentamethyl-2,4,4a,6,7,8-hexahydrochromene
CID 14944769

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene?
The IUPAC name of 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene (CID 573164) is 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene.
What is the SMILES notation for 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene?
The canonical SMILES for 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene is CC1=C(C)OC2(C)CCCC(C)(C)C2C1.
What is the InChIKey of 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene?
The InChIKey is MHXXDEIASCMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-9-12-13(3,4)7-6-8-14(12,5)15-11(10)2/h12H,6-9H2,1-5H3.
What are the key properties of 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene?
2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene has a molecular weight of 208.34 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene is sourced from PubChem (CID 573164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).