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

C15H24O3 — CID 102647062

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCO2)CCCCCC1
InChIInChI=1S/C15H24O3/c1-2-18-15(10-6-3-4-7-11-15)14(16)13-9-5-8-12-17-13/h9H,2-8,10-12H2,1H3
InChIKeyIBQUIYQHDAJOIU-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.38
Rot. Bonds4

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

3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone (PubChem CID 102647062) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
PubChem CID102647062
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCO2)CCCCCC1
InChIInChI=1S/C15H24O3/c1-2-18-15(10-6-3-4-7-11-15)14(16)13-9-5-8-12-17-13/h9H,2-8,10-12H2,1H3
InChIKeyIBQUIYQHDAJOIU-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
CID 102647051
2,3-dihydrofuran-5-yl-(1-methoxycyclobutyl)methanone
CID 102651113
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
CID 106829748
cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
CID 106652265
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
CID 116748355
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
2,3-dihydrofuran-5-yl-(1-methylcyclohexyl)methanone
CID 106829749
(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
CID 116747750
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone (CID 102647062) is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone is CCOC1(C(=O)C2=CCCCO2)CCCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone?
The InChIKey is IBQUIYQHDAJOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-18-15(10-6-3-4-7-11-15)14(16)13-9-5-8-12-17-13/h9H,2-8,10-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone has a molecular weight of 252.35 g/mol, XLogP of 3.38, 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-ethoxycycloheptyl)methanone is sourced from PubChem (CID 102647062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).