6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran

C12H22O — CID 167317830

IUPAC6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran
SMILESCC1=CCC(C(C)C)C(C(C)C)O1
InChIInChI=1S/C12H22O/c1-8(2)11-7-6-10(5)13-12(11)9(3)4/h6,8-9,11-12H,7H2,1-5H3
InChIKeyGQUSZUUYVQMHSG-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.61
Rot. Bonds2

About 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran

6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 167317830) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran
PubChem CID167317830
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran
SMILESCC1=CCC(C(C)C)C(C(C)C)O1
InChIInChI=1S/C12H22O/c1-8(2)11-7-6-10(5)13-12(11)9(3)4/h6,8-9,11-12H,7H2,1-5H3
InChIKeyGQUSZUUYVQMHSG-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran (CID 167317830) is 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran is CC1=CCC(C(C)C)C(C(C)C)O1.
What is the InChIKey of 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is GQUSZUUYVQMHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)11-7-6-10(5)13-12(11)9(3)4/h6,8-9,11-12H,7H2,1-5H3.
What are the key properties of 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran?
6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-di(propan-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 167317830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).