(5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene

C17H32O — CID 70887548

IUPAC(5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene
SMILESCC[C@]1(C)CCC=C(C)C1(CC(C)C)OC(C)C
InChIInChI=1S/C17H32O/c1-8-16(7)11-9-10-15(6)17(16,12-13(2)3)18-14(4)5/h10,13-14H,8-9,11-12H2,1-7H3/t16-,17?/m1/s1
InChIKeyZLHYKIBLUJSUBJ-TZHYSIJRSA-N
MW252.44 g/mol
LogP5.35
Rot. Bonds5

About (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene

(5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene (PubChem CID 70887548) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene.

Molecular Properties

Compound Name(5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene
PubChem CID70887548
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene
SMILESCC[C@]1(C)CCC=C(C)C1(CC(C)C)OC(C)C
InChIInChI=1S/C17H32O/c1-8-16(7)11-9-10-15(6)17(16,12-13(2)3)18-14(4)5/h10,13-14H,8-9,11-12H2,1-7H3/t16-,17?/m1/s1
InChIKeyZLHYKIBLUJSUBJ-TZHYSIJRSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene with MolForge

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Related Compounds

Theaspirane
CID 61953
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
6-Ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene
CID 22219099
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bisabolene oxide
CID 56842615
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
Methyl piperitol
CID 12284330
1-Oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-rel-
CID 11298500
1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5S)-rel-
CID 11435500
Bicyclo[3.1.1]hept-2-ene, 4-ethoxy-2,6,6-trimethyl-
CID 567757

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene?
The IUPAC name of (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene (CID 70887548) is (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene.
What is the SMILES notation for (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene?
The canonical SMILES for (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene is CC[C@]1(C)CCC=C(C)C1(CC(C)C)OC(C)C.
What is the InChIKey of (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene?
The InChIKey is ZLHYKIBLUJSUBJ-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H32O/c1-8-16(7)11-9-10-15(6)17(16,12-13(2)3)18-14(4)5/h10,13-14H,8-9,11-12H2,1-7H3/t16-,17?/m1/s1.
What are the key properties of (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene?
(5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene has a molecular weight of 252.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-1,5-dimethyl-6-(2-methylpropyl)-6-propan-2-yloxycyclohexene is sourced from PubChem (CID 70887548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).