8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene

C12H18O — CID 70537657

IUPAC8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC(C)C1=CCCC2=C1OCCC2
InChIInChI=1S/C12H18O/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyGUWNOSOCGASDBU-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.43
Rot. Bonds1

About 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene

8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 70537657) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene
PubChem CID70537657
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene
SMILESCC(C)C1=CCCC2=C1OCCC2
InChIInChI=1S/C12H18O/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h7,9H,3-6,8H2,1-2H3
InChIKeyGUWNOSOCGASDBU-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene (CID 70537657) is 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene is CC(C)C1=CCCC2=C1OCCC2.
What is the InChIKey of 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is GUWNOSOCGASDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene?
8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 178.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 70537657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).