3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

C92H128N2O2 — CID 160676872

IUPAC3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2c(c1)CC(C(C)C)CO2.CC(C)c1ccc2c(c1)CN(C(C)C)CC2.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccc2ncc(C(C)C)cc2c1
InChIInChI=1S/C16H24.C16H20.C15H19N.C15H23N.C15H22O.C15H20O/c2*1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4;1-11(2)14-6-5-13-7-8-16(12(3)4)10-15(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyRNQKHKCYGMKIQM-UHFFFAOYSA-N
MW1294.05 g/mol
LogP25.97
Rot. Bonds12

About 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 160676872) has the molecular formula C92H128N2O2 and a molecular weight of 1294.05 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID160676872
Molecular FormulaC92H128N2O2
Molecular Weight1294.05 g/mol
Exact Mass1293.00
IUPAC Name3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2c(c1)CC(C(C)C)CO2.CC(C)c1ccc2c(c1)CN(C(C)C)CC2.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccc2ncc(C(C)C)cc2c1
InChIInChI=1S/C16H24.C16H20.C15H19N.C15H23N.C15H22O.C15H20O/c2*1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4;1-11(2)14-6-5-13-7-8-16(12(3)4)10-15(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyRNQKHKCYGMKIQM-UHFFFAOYSA-N
XLogP25.97
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.05
LogP ≤ 525.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 160676872) is 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2c(c1)CC(C(C)C)CO2.CC(C)c1ccc2c(c1)CN(C(C)C)CC2.CC(C)c1ccc2ccc(C(C)C)cc2c1.CC(C)c1ccc2ncc(C(C)C)cc2c1.
What is the InChIKey of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RNQKHKCYGMKIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C16H20.C15H19N.C15H23N.C15H22O.C15H20O/c2*1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4;1-11(2)14-6-5-13-7-8-16(12(3)4)10-15(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-12H,1-4H3;5-11H,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 1294.05 g/mol, XLogP of 25.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 160676872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).