2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one

C11H16O2 — CID 14910840

IUPAC2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1=COCCC1
InChIInChI=1S/C11H16O2/c12-11-6-2-1-5-10(11)9-4-3-7-13-8-9/h8,10H,1-7H2
InChIKeyLVWGLIMKFLODAP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds1

About 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one

2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one (PubChem CID 14910840) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one
PubChem CID14910840
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1=COCCC1
InChIInChI=1S/C11H16O2/c12-11-6-2-1-5-10(11)9-4-3-7-13-8-9/h8,10H,1-7H2
InChIKeyLVWGLIMKFLODAP-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
4-[(1S,2E)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 14414123
4-[(1S,2Z)-3-(2-hydroxyethyl)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 134882177
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
3-Methoxy-1-(4-methylidenecyclohexyl)propan-1-one
CID 59992626
Methyl 2-[4-(methoxymethylidene)cyclohexyl]acetate
CID 68225306
2-(4-Methoxycyclohexa-1,3-dien-1-yl)cyclohexan-1-one
CID 71001748
4-[(7R,8S)-3,3,4,7-tetramethyl-4,4a,5,6,7,8-hexahydroisochromen-8-yl]butan-2-one
CID 90139689
2-Cyclohexyl-5-methoxypent-1-en-3-one
CID 122518622
1-[4-(1-Propan-2-yloxyethenyl)cyclohexyl]propan-1-one
CID 156047522
3-(1,4-Dioxin-2-yl)cyclododecan-1-one
CID 175204835

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one (CID 14910840) is 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one is O=C1CCCCC1C1=COCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one?
The InChIKey is LVWGLIMKFLODAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11-6-2-1-5-10(11)9-4-3-7-13-8-9/h8,10H,1-7H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one?
2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one is sourced from PubChem (CID 14910840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).