3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone

C11H16O2 — CID 107004012

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)C1=COCCC1
InChIInChI=1S/C11H16O2/c1-11(2)6-9(11)10(12)8-4-3-5-13-7-8/h7,9H,3-6H2,1-2H3
InChIKeyGRUSOLTUPCHYQP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone

3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107004012) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone
PubChem CID107004012
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)C1=COCCC1
InChIInChI=1S/C11H16O2/c1-11(2)6-9(11)10(12)8-4-3-5-13-7-8/h7,9H,3-6H2,1-2H3
InChIKeyGRUSOLTUPCHYQP-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone (CID 107004012) is 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is GRUSOLTUPCHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2)6-9(11)10(12)8-4-3-5-13-7-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 180.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107004012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).