1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne

C32H48 — CID 143048595

IUPAC1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne
SMILESC.C.C#CC.C/C=C(/CCC)c1ccccc1C.C=C(C)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C14H18.C13H18.C3H4.2CH4/c1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-8-12(5-2)13-10-7-6-9-11(13)3;1-3-2;;/h5-11H,3H2,1-2,4H3;5-7,9-10H,4,8H2,1-3H3;1H,2H3;2*1H4/b6-5+;12-5-;;;
InChIKeyQDQWOILYBOTCAS-FTCMWESWSA-N
MW432.74 g/mol
LogP10.50
Rot. Bonds6

About 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne

1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne (PubChem CID 143048595) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne.

Molecular Properties

Compound Name1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne
PubChem CID143048595
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Name1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne
SMILESC.C.C#CC.C/C=C(/CCC)c1ccccc1C.C=C(C)c1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C14H18.C13H18.C3H4.2CH4/c1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-8-12(5-2)13-10-7-6-9-11(13)3;1-3-2;;/h5-11H,3H2,1-2,4H3;5-7,9-10H,4,8H2,1-3H3;1H,2H3;2*1H4/b6-5+;12-5-;;;
InChIKeyQDQWOILYBOTCAS-FTCMWESWSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine
CID 171560882
1-methyl-2-oct-4-en-4-ylbenzene
CID 86019229
butane;ethane;2-[1-(2-methylphenyl)ethenyl]benzenethiol;1-methyl-4-prop-1-en-2-ylbenzene
CID 143817650
2-hex-2-en-3-ylphenol
CID 57154775
(Z)-N,N-dimethyl-3-(2-methylphenyl)pent-3-en-1-amine
CID 167306993
1-[4-[(E)-3-methylbut-1-enyl]phenyl]-N-[(4-propan-2-ylphenyl)methyl]ethenamine
CID 143048599
1-but-3-enyl-2-[2-[4-[(E)-3-methylbut-1-enyl]phenyl]prop-2-enyl]benzene
CID 143048502
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
1,4-dimethyl-2-prop-1-en-2-ylbenzene;bis(1-ethenyl-4-methylbenzene);hexane;bis(3-methylbut-1-ene);bis(octane)
CID 154679400
1-[(3Z)-3-butan-2-yl-4-ethenylhepta-1,3-dien-2-yl]-2-methylbenzene
CID 144614570

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne?
The IUPAC name of 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne (CID 143048595) is 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne.
What is the SMILES notation for 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne?
The canonical SMILES for 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne is C.C.C#CC.C/C=C(/CCC)c1ccccc1C.C=C(C)c1ccc(/C=C/C(C)C)cc1.
What is the InChIKey of 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne?
The InChIKey is QDQWOILYBOTCAS-FTCMWESWSA-N. The full InChI is InChI=1S/C14H18.C13H18.C3H4.2CH4/c1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-8-12(5-2)13-10-7-6-9-11(13)3;1-3-2;;/h5-11H,3H2,1-2,4H3;5-7,9-10H,4,8H2,1-3H3;1H,2H3;2*1H4/b6-5+;12-5-;;;.
What are the key properties of 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne?
1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne has a molecular weight of 432.74 g/mol, XLogP of 10.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-2-en-3-yl]-2-methylbenzene;methane;1-[(E)-3-methylbut-1-enyl]-4-prop-1-en-2-ylbenzene;prop-1-yne is sourced from PubChem (CID 143048595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).