3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone

C15H24O2 — CID 115798015

IUPAC3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)C2=COCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-12(2)10-15(7-3-4-8-15)14(16)13-6-5-9-17-11-13/h11-12H,3-10H2,1-2H3
InChIKeyKVGVRDGAPADZNH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.86
Rot. Bonds4

About 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone

3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 115798015) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID115798015
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)C2=COCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-12(2)10-15(7-3-4-8-15)14(16)13-6-5-9-17-11-13/h11-12H,3-10H2,1-2H3
InChIKeyKVGVRDGAPADZNH-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isopropylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 23451695
(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one
CID 134905091
3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
CID 130855794
2-Isobutylidene-8-isopropoxy-10-methylspiro[4.5]dec-7-en-6-one
CID 53650404
4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one
CID 54549475
1-[(1S,4aS,7aR)-1,4a,7,7-tetramethyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59172353
1-[(4aS,7aR)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-id-4-yl]ethanone;yttrium
CID 59954685
3-Methyl-1-(3-propyloxolan-3-yl)but-3-en-2-one
CID 143526492
(2E)-4,4-dimethyl-2-[[11-methyl-10,10-di(propan-2-yl)dodecoxy]methylidene]cyclohexan-1-one
CID 149632450
(2E)-2-(10,10-dimethylundecoxymethylidene)-4,4-dimethylcyclohexan-1-one
CID 151511488
2-Methyl-5-(oxan-4-yl)pent-1-en-3-one
CID 157267218
(2E)-4,4-dimethyl-2-(10,10,11,11-tetramethyldodecoxymethylidene)cyclohexan-1-one
CID 172710884

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone (CID 115798015) is 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone is CC(C)CC1(C(=O)C2=COCCC2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is KVGVRDGAPADZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)10-15(7-3-4-8-15)14(16)13-6-5-9-17-11-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone?
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 236.35 g/mol, XLogP of 3.86, 4 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-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 115798015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).