methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane

C18H30O3 — CID 144768692

IUPACmethanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane
SMILESCC1(C)COC1(C)C.CO.Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C10H12O.C7H14O.CH4O/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-6(2)5-8-7(6,3)4;1-2/h4-5,7H,2-3,6H2,1H3;5H2,1-4H3;2H,1H3
InChIKeyLJRWZVQKWUIENN-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.75
Rot. Bonds

About methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane

methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane (PubChem CID 144768692) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane.

Molecular Properties

Compound Namemethanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane
PubChem CID144768692
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Namemethanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane
SMILESCC1(C)COC1(C)C.CO.Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C10H12O.C7H14O.CH4O/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-6(2)5-8-7(6,3)4;1-2/h4-5,7H,2-3,6H2,1H3;5H2,1-4H3;2H,1H3
InChIKeyLJRWZVQKWUIENN-UHFFFAOYSA-N
XLogP3.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125003
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
8-methyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 20706175
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040

Frequently Asked Questions

What is the IUPAC name of methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane?
The IUPAC name of methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane (CID 144768692) is methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane.
What is the SMILES notation for methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane?
The canonical SMILES for methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane is CC1(C)COC1(C)C.CO.Cc1ccc2c(c1)CCCO2.
What is the InChIKey of methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane?
The InChIKey is LJRWZVQKWUIENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C7H14O.CH4O/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-6(2)5-8-7(6,3)4;1-2/h4-5,7H,2-3,6H2,1H3;5H2,1-4H3;2H,1H3.
What are the key properties of methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane?
methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane has a molecular weight of 294.44 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane is sourced from PubChem (CID 144768692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).