3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone

C16H26O3 — CID 102647060

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2=CCCCO2)CCC(C)(C)CC1
InChIInChI=1S/C16H26O3/c1-4-19-16(10-8-15(2,3)9-11-16)14(17)13-7-5-6-12-18-13/h7H,4-6,8-12H2,1-3H3
InChIKeyWMDCLERPHSOBSH-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.63
Rot. Bonds4

About 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone

3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone (PubChem CID 102647060) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
PubChem CID102647060
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2=CCCCO2)CCC(C)(C)CC1
InChIInChI=1S/C16H26O3/c1-4-19-16(10-8-15(2,3)9-11-16)14(17)13-7-5-6-12-18-13/h7H,4-6,8-12H2,1-3H3
InChIKeyWMDCLERPHSOBSH-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(2,6,6-trimethylcyclohexen-1-yl)methanone
CID 144294565
(4-Methoxy-3-oxospiro[5.5]undec-4-en-2-yl) 2,2-dimethylpropanoate
CID 10447163
2-Methoxyspiro[5.5]undec-1-en-3-one
CID 15151990
3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methanone
CID 102646831
3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanone
CID 102646905
3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone
CID 102646906
3,4-dihydro-2H-pyran-6-yl-(4-propylcyclohexyl)methanone
CID 102646908
3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylcyclohexyl)methanone
CID 102646909
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclohexyl)methanone
CID 102647052
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclohexyl)methanone
CID 102647053
3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone
CID 102647056
3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methanone
CID 102647057

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone (CID 102647060) is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone is CCOC1(C(=O)C2=CCCCO2)CCC(C)(C)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
The InChIKey is WMDCLERPHSOBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-19-16(10-8-15(2,3)9-11-16)14(17)13-7-5-6-12-18-13/h7H,4-6,8-12H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone has a molecular weight of 266.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 102647060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).