5-(2-methylpropyl)-4-propan-2-yl-2H-pyran

C12H20O — CID 59139463

IUPAC5-(2-methylpropyl)-4-propan-2-yl-2H-pyran
SMILESCC(C)CC1=COCC=C1C(C)C
InChIInChI=1S/C12H20O/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h5,8-10H,6-7H2,1-4H3
InChIKeyNPVAECWTXMTHIC-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.53
Rot. Bonds3

About 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran

5-(2-methylpropyl)-4-propan-2-yl-2H-pyran (PubChem CID 59139463) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-propan-2-yl-2H-pyran
PubChem CID59139463
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-(2-methylpropyl)-4-propan-2-yl-2H-pyran
SMILESCC(C)CC1=COCC=C1C(C)C
InChIInChI=1S/C12H20O/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h5,8-10H,6-7H2,1-4H3
InChIKeyNPVAECWTXMTHIC-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran?
The IUPAC name of 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran (CID 59139463) is 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran.
What is the SMILES notation for 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran?
The canonical SMILES for 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran is CC(C)CC1=COCC=C1C(C)C.
What is the InChIKey of 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran?
The InChIKey is NPVAECWTXMTHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)7-11-8-13-6-5-12(11)10(3)4/h5,8-10H,6-7H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran?
5-(2-methylpropyl)-4-propan-2-yl-2H-pyran has a molecular weight of 180.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-propan-2-yl-2H-pyran is sourced from PubChem (CID 59139463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).