propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene

C19H30 — CID 143966502

IUPACpropane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene
SMILESC=C(C)/C(=C/c1ccccc1)CCCCC.CCC
InChIInChI=1S/C16H22.C3H8/c1-4-5-7-12-16(14(2)3)13-15-10-8-6-9-11-15;1-3-2/h6,8-11,13H,2,4-5,7,12H2,1,3H3;3H2,1-2H3/b16-13+;
InChIKeyGPZZVDNFIFKLPC-ZUQRMPMESA-N
MW258.45 g/mol
LogP6.64
Rot. Bonds6

About propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene

propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene (PubChem CID 143966502) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene.

Molecular Properties

Compound Namepropane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene
PubChem CID143966502
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Namepropane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene
SMILESC=C(C)/C(=C/c1ccccc1)CCCCC.CCC
InChIInChI=1S/C16H22.C3H8/c1-4-5-7-12-16(14(2)3)13-15-10-8-6-9-11-15;1-3-2/h6,8-11,13H,2,4-5,7,12H2,1,3H3;3H2,1-2H3/b16-13+;
InChIKeyGPZZVDNFIFKLPC-ZUQRMPMESA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-benzylideneheptanoic acid
CID 14318164
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
2-benzylideneicosanamide
CID 167436455
(2E)-2-benzylidenehexanoic acid
CID 5354388
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
2-methylidenehenicosanoic acid;2-methyl-3-phenylprop-2-enoic acid
CID 70268950
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
4-benzylidene-1-phenylheptadec-1-en-3-one
CID 54442724
(4E)-4-benzylidenedec-1-en-3-ol
CID 15013196
ethyl 2-benzylidenedecanoate
CID 70212022
(2Z)-2-benzylidenehexanoate
CID 21157937
potassium (2E)-2-benzylideneoctan-1-one
CID 162387129

Frequently Asked Questions

What is the IUPAC name of propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene?
The IUPAC name of propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene (CID 143966502) is propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene.
What is the SMILES notation for propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene?
The canonical SMILES for propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene is C=C(C)/C(=C/c1ccccc1)CCCCC.CCC.
What is the InChIKey of propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene?
The InChIKey is GPZZVDNFIFKLPC-ZUQRMPMESA-N. The full InChI is InChI=1S/C16H22.C3H8/c1-4-5-7-12-16(14(2)3)13-15-10-8-6-9-11-15;1-3-2/h6,8-11,13H,2,4-5,7,12H2,1,3H3;3H2,1-2H3/b16-13+;.
What are the key properties of propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene?
propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene has a molecular weight of 258.45 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene is sourced from PubChem (CID 143966502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).