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

C12H18O2 — CID 107187415

IUPAC3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)C1=COCCC1
InChIInChI=1S/C12H18O2/c1-9-4-2-6-11(9)12(13)10-5-3-7-14-8-10/h8-9,11H,2-7H2,1H3
InChIKeyCDDQPBSXNDURSO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds2

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

3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone (PubChem CID 107187415) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone
PubChem CID107187415
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)C1=COCCC1
InChIInChI=1S/C12H18O2/c1-9-4-2-6-11(9)12(13)10-5-3-7-14-8-10/h8-9,11H,2-7H2,1H3
InChIKeyCDDQPBSXNDURSO-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxycyclohex-2-en-1-one
CID 60127782
(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxy-5-methylcyclohex-2-en-1-one
CID 11218590
3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
Methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
CID 129826191
(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxy-4-methylcyclohex-2-en-1-one
CID 135058839
(6E)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxycyclohex-2-en-1-one
CID 22260241
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
(2E)-2-[(2-methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one
CID 67066937
2-[(2-Methylpropan-2-yl)oxymethylidene]-5-pentylcyclopentan-1-one
CID 67066938

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone (CID 107187415) is 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone?
The InChIKey is CDDQPBSXNDURSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-4-2-6-11(9)12(13)10-5-3-7-14-8-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.69, 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-methylcyclopentyl)methanone is sourced from PubChem (CID 107187415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).