1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene

C16H24 — CID 83928267

IUPAC1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24/c1-6-7-8-12(2)11-16-14(4)9-13(3)10-15(16)5/h7-10,12H,6,11H2,1-5H3/b8-7-
InChIKeyCRFFMANKUDLJBE-FPLPWBNLSA-N
MW216.37 g/mol
LogP4.76
Rot. Bonds4

About 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene

1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene (PubChem CID 83928267) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene
PubChem CID83928267
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24/c1-6-7-8-12(2)11-16-14(4)9-13(3)10-15(16)5/h7-10,12H,6,11H2,1-5H3/b8-7-
InChIKeyCRFFMANKUDLJBE-FPLPWBNLSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene (CID 83928267) is 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene is CC/C=C\C(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene?
The InChIKey is CRFFMANKUDLJBE-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H24/c1-6-7-8-12(2)11-16-14(4)9-13(3)10-15(16)5/h7-10,12H,6,11H2,1-5H3/b8-7-.
What are the key properties of 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene?
1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene has a molecular weight of 216.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene is sourced from PubChem (CID 83928267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).