4-methylhex-2-en-2-ylbenzene

C13H18 — CID 76543432

IUPAC4-methylhex-2-en-2-ylbenzene
SMILESCCC(C)C=C(C)c1ccccc1
InChIInChI=1S/C13H18/c1-4-11(2)10-12(3)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKeyRMFBKLZSAVCRKC-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.14
Rot. Bonds3

About 4-methylhex-2-en-2-ylbenzene

4-methylhex-2-en-2-ylbenzene (PubChem CID 76543432) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-methylhex-2-en-2-ylbenzene.

Molecular Properties

Compound Name4-methylhex-2-en-2-ylbenzene
PubChem CID76543432
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name4-methylhex-2-en-2-ylbenzene
SMILESCCC(C)C=C(C)c1ccccc1
InChIInChI=1S/C13H18/c1-4-11(2)10-12(3)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKeyRMFBKLZSAVCRKC-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methylhex-2-en-2-ylbenzene?
The IUPAC name of 4-methylhex-2-en-2-ylbenzene (CID 76543432) is 4-methylhex-2-en-2-ylbenzene.
What is the SMILES notation for 4-methylhex-2-en-2-ylbenzene?
The canonical SMILES for 4-methylhex-2-en-2-ylbenzene is CCC(C)C=C(C)c1ccccc1.
What is the InChIKey of 4-methylhex-2-en-2-ylbenzene?
The InChIKey is RMFBKLZSAVCRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-11(2)10-12(3)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3.
What are the key properties of 4-methylhex-2-en-2-ylbenzene?
4-methylhex-2-en-2-ylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhex-2-en-2-ylbenzene is sourced from PubChem (CID 76543432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).