1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane

C32H52O2 — CID 160530479

IUPAC1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
SMILESCCC12CC(C3CCC4OC4(CC)C3)CCC1O2.CCC1=CCCC(C2CCC=C(CC)C2)C1
InChIInChI=1S/C16H26O2.C16H26/c1-3-15-9-11(5-7-13(15)17-15)12-6-8-14-16(4-2,10-12)18-14;1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h11-14H,3-10H2,1-2H3;7-8,15-16H,3-6,9-12H2,1-2H3
InChIKeyQVLUJSHNSUVEDL-UHFFFAOYSA-N
MW468.77 g/mol
LogP8.94
Rot. Bonds6

About 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane

1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 160530479) has the molecular formula C32H52O2 and a molecular weight of 468.77 g/mol. Its IUPAC name is 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID160530479
Molecular FormulaC32H52O2
Molecular Weight468.77 g/mol
Exact Mass468.40
IUPAC Name1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
SMILESCCC12CC(C3CCC4OC4(CC)C3)CCC1O2.CCC1=CCCC(C2CCC=C(CC)C2)C1
InChIInChI=1S/C16H26O2.C16H26/c1-3-15-9-11(5-7-13(15)17-15)12-6-8-14-16(4-2,10-12)18-14;1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h11-14H,3-10H2,1-2H3;7-8,15-16H,3-6,9-12H2,1-2H3
InChIKeyQVLUJSHNSUVEDL-UHFFFAOYSA-N
XLogP8.94
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane with MolForge

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Related Compounds

1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene
CID 59765969
5-(3-ethylcyclohex-3-en-1-yl)-1-methylcycloheptene
CID 143250465
(1S)-1-ethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87456882
4-ethylcyclohept-4-en-1-ol
CID 91248239
6-ethenyl-1-ethylcycloheptene
CID 141316473
1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 118055412
ethane;ethene;1-ethyl-5-[2-(3-methylcyclohex-3-en-1-yl)propan-2-yl]cyclohexene
CID 143264165
1-propyl-3-[(1-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 59720792
(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 125480691
2-cyclohexyl-4-ethyl-1,2,3,6-tetrahydropyridine
CID 146557976
(1R,5S,6R)-3-ethyl-6-hydroxybicyclo[3.2.0]hept-3-ene-6-sulfonic acid
CID 71582808

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane (CID 160530479) is 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane is CCC12CC(C3CCC4OC4(CC)C3)CCC1O2.CCC1=CCCC(C2CCC=C(CC)C2)C1.
What is the InChIKey of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is QVLUJSHNSUVEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.C16H26/c1-3-15-9-11(5-7-13(15)17-15)12-6-8-14-16(4-2,10-12)18-14;1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h11-14H,3-10H2,1-2H3;7-8,15-16H,3-6,9-12H2,1-2H3.
What are the key properties of 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 468.77 g/mol, XLogP of 8.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene;1-ethyl-3-(1-ethyl-7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 160530479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).