cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone

C17H26O2 — CID 174733488

IUPACcyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CCCCC2)C(C)=CCC(C)=C1C
InChIInChI=1S/C17H26O2/c1-12-10-11-13(2)17(19-4,14(12)3)16(18)15-8-6-5-7-9-15/h11,15H,5-10H2,1-4H3
InChIKeyFNDXDYUGIWMUTF-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.21
Rot. Bonds3

About cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone

cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone (PubChem CID 174733488) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone
PubChem CID174733488
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Namecyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone
SMILESCOC1(C(=O)C2CCCCC2)C(C)=CCC(C)=C1C
InChIInChI=1S/C17H26O2/c1-12-10-11-13(2)17(19-4,14(12)3)16(18)15-8-6-5-7-9-15/h11,15H,5-10H2,1-4H3
InChIKeyFNDXDYUGIWMUTF-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.21
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

1-Methoxybicyclo[3.2.2]non-6-en-2-one
CID 13378430
1-Methoxybicyclo[2.2.2]oct-5-en-2-one
CID 377223
(E)-3,7-Dimethyl-2,6-octadienyl (cyclohexyl)oxoacetate
CID 12965189
(E,6S,14R,23S,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacont-10-en-3-one
CID 445244
(19E,23S,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-19,26,30-trien-3-one
CID 172908654
(14E,19E,23S,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-14,19,26,30-tetraen-3-one
CID 172908658
(10E,14E,19E,23S,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-10,14,19,26,30-pentaen-3-one
CID 172908659
(10E,19E,23S,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-10,19,26,30-tetraen-3-one
CID 172908660
(10E,19E,23S,26Z)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-10,19,26,30-tetraen-3-one
CID 172908685
3-Butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10082847
(1R,4S)-1-methoxybicyclo[2.2.2]oct-5-en-2-one
CID 11286573
Tricyclo[7.2.2.0(3,8)]trideca-5,12-dien-2-one, 1-methoxy-4-methyl-
CID 573564

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone?
The IUPAC name of cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone (CID 174733488) is cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone?
The canonical SMILES for cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone is COC1(C(=O)C2CCCCC2)C(C)=CCC(C)=C1C.
What is the InChIKey of cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone?
The InChIKey is FNDXDYUGIWMUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12-10-11-13(2)17(19-4,14(12)3)16(18)15-8-6-5-7-9-15/h11,15H,5-10H2,1-4H3.
What are the key properties of cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone?
cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone has a molecular weight of 262.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone is sourced from PubChem (CID 174733488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).