6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine

C28H42N2 — CID 143530561

IUPAC6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine
SMILESC=C1N=C(/C=C/C2=C(C)CCCC2(C)C)CC(/C=C/C2=C(C)CCCC2(C)CC)N1
InChIInChI=1S/C28H42N2/c1-8-28(7)18-10-12-21(3)26(28)16-14-24-19-23(29-22(4)30-24)13-15-25-20(2)11-9-17-27(25,5)6/h13-16,24,30H,4,8-12,17-19H2,1-3,5-7H3/b15-13+,16-14+
InChIKeyDQNWZVNFTULVJO-WXUKJITCSA-N
MW406.66 g/mol
LogP7.82
Rot. Bonds5

About 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine

6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine (PubChem CID 143530561) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine
PubChem CID143530561
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Name6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine
SMILESC=C1N=C(/C=C/C2=C(C)CCCC2(C)C)CC(/C=C/C2=C(C)CCCC2(C)CC)N1
InChIInChI=1S/C28H42N2/c1-8-28(7)18-10-12-21(3)26(28)16-14-24-19-23(29-22(4)30-24)13-15-25-20(2)11-9-17-27(25,5)6/h13-16,24,30H,4,8-12,17-19H2,1-3,5-7H3/b15-13+,16-14+
InChIKeyDQNWZVNFTULVJO-WXUKJITCSA-N
XLogP7.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
The IUPAC name of 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine (CID 143530561) is 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
The canonical SMILES for 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine is C=C1N=C(/C=C/C2=C(C)CCCC2(C)C)CC(/C=C/C2=C(C)CCCC2(C)CC)N1.
What is the InChIKey of 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
The InChIKey is DQNWZVNFTULVJO-WXUKJITCSA-N. The full InChI is InChI=1S/C28H42N2/c1-8-28(7)18-10-12-21(3)26(28)16-14-24-19-23(29-22(4)30-24)13-15-25-20(2)11-9-17-27(25,5)6/h13-16,24,30H,4,8-12,17-19H2,1-3,5-7H3/b15-13+,16-14+.
What are the key properties of 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine?
6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine has a molecular weight of 406.66 g/mol, XLogP of 7.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(6-ethyl-2,6-dimethylcyclohexen-1-yl)ethenyl]-2-methylidene-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-5,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 143530561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).