3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone

C11H16O2 — CID 107004073

IUPAC3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)C1=CCCCO1
InChIInChI=1S/C11H16O2/c1-11(2)7-8(11)10(12)9-5-3-4-6-13-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyCZNLFXMFNPQMME-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone

3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107004073) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone
PubChem CID107004073
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)C1=CCCCO1
InChIInChI=1S/C11H16O2/c1-11(2)7-8(11)10(12)9-5-3-4-6-13-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyCZNLFXMFNPQMME-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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Related Compounds

Methoxy-5-methylcyclohex-2-enone
CID 129652246
2-Methoxy-4,4-dimethylcyclohex-2-en-1-one
CID 586875
(4aS,8R,8aR)-3-methoxy-8,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 12625703
2-(2-Methylpropoxy)cyclohex-2-en-1-one
CID 12858355
(5E)-4-tert-butyl-2-ethoxy-5-ethylidenecyclopent-2-en-1-one
CID 134996474
4-Methoxy-1-propan-2-ylbicyclo[4.1.0]hept-4-ene-2,3-dione
CID 166446948
3-Ethoxy-5,5,6-trimethylcyclohex-2-en-1-one
CID 11217620
2-Methoxy-6-methylcyclohex-2-EN-1-one
CID 13678109
4,4-Dimethyl-2-pentoxycyclohex-2-en-1-one
CID 18320099
2-Hexoxy-4,4-dimethylcyclohex-2-en-1-one
CID 18320197
2-Hexoxy-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320296
4,4-Dimethyl-6-methylidene-2-pentoxycyclohex-2-en-1-one
CID 18320440

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone (CID 107004073) is 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is CZNLFXMFNPQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2)7-8(11)10(12)9-5-3-4-6-13-9/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2,2-dimethylcyclopropyl)methanone?
3,4-dihydro-2H-pyran-6-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-6-yl-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107004073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).