2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine

C12H20O2 — CID 86155607

IUPAC2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine
SMILESCC1C=CC(C)OC(C2CCCC2)O1
InChIInChI=1S/C12H20O2/c1-9-7-8-10(2)14-12(13-9)11-5-3-4-6-11/h7-12H,3-6H2,1-2H3
InChIKeyFKALZNDCRYZCSF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.88
Rot. Bonds1

About 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine

2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine (PubChem CID 86155607) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine.

Molecular Properties

Compound Name2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine
PubChem CID86155607
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine
SMILESCC1C=CC(C)OC(C2CCCC2)O1
InChIInChI=1S/C12H20O2/c1-9-7-8-10(2)14-12(13-9)11-5-3-4-6-11/h7-12H,3-6H2,1-2H3
InChIKeyFKALZNDCRYZCSF-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
CID 59026964
1-(2-Methoxypropan-2-yloxymethyl)-5-methylcyclopentene
CID 66827689
2-(2,6-dimethylhept-5-enyl)-6-methoxy-3,6-dihydro-2H-pyran
CID 68708529
4,7-Dimethyl-2-pentyl-4,7-dihydro-1,3-dioxepine
CID 70382331
2-(2,6-Dimethylhept-5-enyl)-4-vinyl-[1,3]dioxolane
CID 71471491
3-(1-Ethoxyethoxy)-6-ethylcyclohexene
CID 123637853
4-methyl-2-pentyl-4a,5,6,8a-tetrahydro-4H-1,3-benzodioxine
CID 123725404
(8S)-8-methyl-3,4,4a,5,8,9a-hexahydro-2H-pyrano[2,3-b]oxepine
CID 141781089
1-(1-Propoxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 159330483
1-(1-Ethoxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 161280227
(3S,5S)-3-(1-ethoxy-3-methylbutoxy)-5-methylcyclopentene
CID 169966091
(3S)-3-(1-ethoxypropoxy)-5-methylcyclopentene
CID 169966126

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine?
The IUPAC name of 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine (CID 86155607) is 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine.
What is the SMILES notation for 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine?
The canonical SMILES for 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine is CC1C=CC(C)OC(C2CCCC2)O1.
What is the InChIKey of 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine?
The InChIKey is FKALZNDCRYZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-7-8-10(2)14-12(13-9)11-5-3-4-6-11/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine?
2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine has a molecular weight of 196.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine is sourced from PubChem (CID 86155607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).