[(Z)-4-methylhex-3-en-3-yl]benzene

C13H18 — CID 142361639

IUPAC[(Z)-4-methylhex-3-en-3-yl]benzene
SMILESCC/C(C)=C(/CC)c1ccccc1
InChIInChI=1S/C13H18/c1-4-11(3)13(5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11-
InChIKeyOAGUGBDLMGASPA-QBFSEMIESA-N
MW174.29 g/mol
LogP4.28
Rot. Bonds3

About [(Z)-4-methylhex-3-en-3-yl]benzene

[(Z)-4-methylhex-3-en-3-yl]benzene (PubChem CID 142361639) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(Z)-4-methylhex-3-en-3-yl]benzene.

Molecular Properties

Compound Name[(Z)-4-methylhex-3-en-3-yl]benzene
PubChem CID142361639
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(Z)-4-methylhex-3-en-3-yl]benzene
SMILESCC/C(C)=C(/CC)c1ccccc1
InChIInChI=1S/C13H18/c1-4-11(3)13(5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11-
InChIKeyOAGUGBDLMGASPA-QBFSEMIESA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methylhex-3-en-3-yl]benzene?
The IUPAC name of [(Z)-4-methylhex-3-en-3-yl]benzene (CID 142361639) is [(Z)-4-methylhex-3-en-3-yl]benzene.
What is the SMILES notation for [(Z)-4-methylhex-3-en-3-yl]benzene?
The canonical SMILES for [(Z)-4-methylhex-3-en-3-yl]benzene is CC/C(C)=C(/CC)c1ccccc1.
What is the InChIKey of [(Z)-4-methylhex-3-en-3-yl]benzene?
The InChIKey is OAGUGBDLMGASPA-QBFSEMIESA-N. The full InChI is InChI=1S/C13H18/c1-4-11(3)13(5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11-.
What are the key properties of [(Z)-4-methylhex-3-en-3-yl]benzene?
[(Z)-4-methylhex-3-en-3-yl]benzene has a molecular weight of 174.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methylhex-3-en-3-yl]benzene is sourced from PubChem (CID 142361639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).