(4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene

C15H22 — CID 24764079

IUPAC(4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene
SMILESC=C(C)/C=C/C=C(\C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-8,15H,1,9-11H2,2-4H3/b6-5+,14-7+/t15-/m0/s1
InChIKeyIKNIELYOBJXLKD-ZATLCOBCSA-N
MW202.34 g/mol
LogP4.81
Rot. Bonds3

About (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene

(4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene (PubChem CID 24764079) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene.

Molecular Properties

Compound Name(4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene
PubChem CID24764079
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene
SMILESC=C(C)/C=C/C=C(\C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-8,15H,1,9-11H2,2-4H3/b6-5+,14-7+/t15-/m0/s1
InChIKeyIKNIELYOBJXLKD-ZATLCOBCSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene?
The IUPAC name of (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene (CID 24764079) is (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene.
What is the SMILES notation for (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene?
The canonical SMILES for (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene is C=C(C)/C=C/C=C(\C)[C@H]1CC=C(C)CC1.
What is the InChIKey of (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene?
The InChIKey is IKNIELYOBJXLKD-ZATLCOBCSA-N. The full InChI is InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-8,15H,1,9-11H2,2-4H3/b6-5+,14-7+/t15-/m0/s1.
What are the key properties of (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene?
(4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene has a molecular weight of 202.34 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[(2E,4E)-6-methylhepta-2,4,6-trien-2-yl]cyclohexene is sourced from PubChem (CID 24764079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).