2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene

C14H22O — CID 605619

IUPAC2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene
SMILESC=C1C=C(C)OC2(C)CCCC(C)(C)C12
InChIInChI=1S/C14H22O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9,12H,1,6-8H2,2-5H3
InChIKeyYNZIEYHELDFBBK-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.06
Rot. Bonds

About 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene

2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene (PubChem CID 605619) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene.

Molecular Properties

Compound Name2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene
PubChem CID605619
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene
SMILESC=C1C=C(C)OC2(C)CCCC(C)(C)C12
InChIInChI=1S/C14H22O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9,12H,1,6-8H2,2-5H3
InChIKeyYNZIEYHELDFBBK-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 7057250
2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene
CID 573164
(1Z,3aS,5aR,9aR,9bR)-3a,6,6,9a-tetramethyl-2-methylidene-1-(2-methylpropylidene)-5,5a,7,8,9,9b-hexahydro-4H-benzo[e][1]benzofuran
CID 157170583
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-2-one
CID 12742959
(7aR)-2-(1-hydroxyethyl)-4,4,7a-trimethyl-3a,5,6,7-tetrahydro-1-benzofuran-3-one
CID 91747315
(1Z,3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-1-[[(2S)-4-methyl-5-methylidene-2H-furan-2-yl]oxymethylidene]-5,5a,7,8,9,9b-hexahydro-4H-benzo[e][1]benzofuran-2-one
CID 118406301
(1E,3aS,5aR,9aR,9bR)-3a,6,6,9a-tetramethyl-1-[(4-methyl-5-methylidene-2H-furan-2-yl)oxymethylidene]-5,5a,7,8,9,9b-hexahydro-4H-benzo[e][1]benzofuran-2-one
CID 118406298
[(4S,4aR)-8a-ethenyl-3,4,5,5-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-2-yl]oxy-trimethylsilane
CID 59902711
CID 124853650
CID 124853650
(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene
CID 11448727
1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
CID 10085530
(1S,3aR,7aS)-4,4,7a-trimethyl-2-methylidene-1,3,3a,5,6,7-hexahydroinden-1-ol
CID 130977926

Frequently Asked Questions

What is the IUPAC name of 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene?
The IUPAC name of 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene (CID 605619) is 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene.
What is the SMILES notation for 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene?
The canonical SMILES for 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene is C=C1C=C(C)OC2(C)CCCC(C)(C)C12.
What is the InChIKey of 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene?
The InChIKey is YNZIEYHELDFBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9,12H,1,6-8H2,2-5H3.
What are the key properties of 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene?
2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene has a molecular weight of 206.33 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene is sourced from PubChem (CID 605619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).