1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene

C15H22 — CID 71761674

IUPAC1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene
SMILESC#C/C(C)=C\CC1=C(C)CCCC1(C)C
InChIInChI=1S/C15H22/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h1,9H,7-8,10-11H2,2-5H3/b12-9-
InChIKeyWUGFRQORLBASOM-XFXZXTDPSA-N
MW202.34 g/mol
LogP4.48
Rot. Bonds2

About 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene

1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene (PubChem CID 71761674) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene
PubChem CID71761674
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene
SMILESC#C/C(C)=C\CC1=C(C)CCCC1(C)C
InChIInChI=1S/C15H22/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h1,9H,7-8,10-11H2,2-5H3/b12-9-
InChIKeyWUGFRQORLBASOM-XFXZXTDPSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene?
The IUPAC name of 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene (CID 71761674) is 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene.
What is the SMILES notation for 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene?
The canonical SMILES for 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene is C#C/C(C)=C\CC1=C(C)CCCC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene?
The InChIKey is WUGFRQORLBASOM-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H22/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h1,9H,7-8,10-11H2,2-5H3/b12-9-.
What are the key properties of 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene?
1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene has a molecular weight of 202.34 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[(Z)-3-methylpent-2-en-4-ynyl]cyclohexene is sourced from PubChem (CID 71761674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).