oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone

C14H22O2 — CID 176864826

IUPACoxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone
SMILESCC(C)C1=CCC(C(=O)C2CCOC2)CC1
InChIInChI=1S/C14H22O2/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3,10,12-13H,4-9H2,1-2H3
InChIKeyUZQVHPYYJMDWFI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.97
Rot. Bonds3

About oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone

oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone (PubChem CID 176864826) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone
PubChem CID176864826
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameoxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone
SMILESCC(C)C1=CCC(C(=O)C2CCOC2)CC1
InChIInChI=1S/C14H22O2/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3,10,12-13H,4-9H2,1-2H3
InChIKeyUZQVHPYYJMDWFI-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.97
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

Davanone
CID 519782
Citronellene lactone
CID 108533
Davanone D
CID 88556
Oxopelenolide a
CID 12304831
(3R,3aR,6E,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 163003863
(3R,3aS,6E,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 163003865
Deodarone
CID 14657303
Ketopelenolide A
CID 6449985
(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
CID 9837597
(6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-one
CID 101162778
(3R,3aR,6Z,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 101677436
(3S,3aR,6E,10S,11aS)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 163003862

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone?
The IUPAC name of oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone (CID 176864826) is oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone?
The canonical SMILES for oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone is CC(C)C1=CCC(C(=O)C2CCOC2)CC1.
What is the InChIKey of oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone?
The InChIKey is UZQVHPYYJMDWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3,10,12-13H,4-9H2,1-2H3.
What are the key properties of oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone?
oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone is sourced from PubChem (CID 176864826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).