[(E)-3-methylhept-1-enyl]benzene

C14H20 — CID 12949923

IUPAC[(E)-3-methylhept-1-enyl]benzene
SMILESCCCCC(C)/C=C/c1ccccc1
InChIInChI=1S/C14H20/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h5-7,9-13H,3-4,8H2,1-2H3/b12-11+
InChIKeyKLQXEMISEWZUOE-VAWYXSNFSA-N
MW188.31 g/mol
LogP4.53
Rot. Bonds5

About [(E)-3-methylhept-1-enyl]benzene

[(E)-3-methylhept-1-enyl]benzene (PubChem CID 12949923) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is [(E)-3-methylhept-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-methylhept-1-enyl]benzene
PubChem CID12949923
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name[(E)-3-methylhept-1-enyl]benzene
SMILESCCCCC(C)/C=C/c1ccccc1
InChIInChI=1S/C14H20/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h5-7,9-13H,3-4,8H2,1-2H3/b12-11+
InChIKeyKLQXEMISEWZUOE-VAWYXSNFSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-biphenyl;4-methyloct-2-ene
CID 174736945
[(Z)-3-butan-2-ylnon-1-enyl]benzene
CID 143094188
2-methylidene-3-(2-phenylethenyl)heptanoic acid
CID 54501886
[(E)-3-(nitromethyl)hept-1-enyl]benzene
CID 134966329
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E)-2-(dibutylamino)-4-phenylbut-3-enal
CID 87921406
[(Z,3R)-1-phenyloct-1-en-3-yl] formate
CID 124646763
3-(bromomethyl)hex-1-enylbenzene
CID 91228511
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
[(E,5R)-5-butylsulfanylhex-1-enyl]benzene
CID 102577338
(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642
2-[(E)-2-phenylethenyl]pentanenitrile
CID 102025901

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylhept-1-enyl]benzene?
The IUPAC name of [(E)-3-methylhept-1-enyl]benzene (CID 12949923) is [(E)-3-methylhept-1-enyl]benzene.
What is the SMILES notation for [(E)-3-methylhept-1-enyl]benzene?
The canonical SMILES for [(E)-3-methylhept-1-enyl]benzene is CCCCC(C)/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-methylhept-1-enyl]benzene?
The InChIKey is KLQXEMISEWZUOE-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H20/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h5-7,9-13H,3-4,8H2,1-2H3/b12-11+.
What are the key properties of [(E)-3-methylhept-1-enyl]benzene?
[(E)-3-methylhept-1-enyl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylhept-1-enyl]benzene is sourced from PubChem (CID 12949923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).