1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene

C23H28 — CID 142304820

IUPAC1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
SMILESC=C(C1=CC(C)=CCC1CC=CCC)c1ccccc1/C=C\C
InChIInChI=1S/C23H28/c1-5-7-8-12-21-16-15-18(3)17-23(21)19(4)22-14-10-9-13-20(22)11-6-2/h6-11,13-15,17,21H,4-5,12,16H2,1-3H3/b8-7?,11-6-
InChIKeyQTEXKEGOGLCJLA-FMQHEPIDSA-N
MW304.48 g/mol
LogP6.98
Rot. Bonds6

About 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene

1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene (PubChem CID 142304820) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
PubChem CID142304820
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
SMILESC=C(C1=CC(C)=CCC1CC=CCC)c1ccccc1/C=C\C
InChIInChI=1S/C23H28/c1-5-7-8-12-21-16-15-18(3)17-23(21)19(4)22-14-10-9-13-20(22)11-6-2/h6-11,13-15,17,21H,4-5,12,16H2,1-3H3/b8-7?,11-6-
InChIKeyQTEXKEGOGLCJLA-FMQHEPIDSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutane;1-[1-(6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
CID 163298369
ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane
CID 145108512
1-but-1-en-2-yl-2-prop-1-enylbenzene
CID 123904805
but-1-ene;1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)isoquinoline
CID 144787298
4-fluoro-10,10-dimethyl-1-pent-2-enyl-8-[(Z)-1-phenylprop-1-enyl]-2,9-dihydro-1H-anthracene
CID 135158188
1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
CID 154988579
1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
CID 164913701
2-but-1-enylbenzoic acid
CID 66860810
4-methyl-6-[2-[(E)-prop-1-enyl]phenyl]-1,2-dihydropyridine
CID 129276692
1,2-bis(but-1-enyl)benzene
CID 140975855
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene (CID 142304820) is 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene is C=C(C1=CC(C)=CCC1CC=CCC)c1ccccc1/C=C\C.
What is the InChIKey of 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is QTEXKEGOGLCJLA-FMQHEPIDSA-N. The full InChI is InChI=1S/C23H28/c1-5-7-8-12-21-16-15-18(3)17-23(21)19(4)22-14-10-9-13-20(22)11-6-2/h6-11,13-15,17,21H,4-5,12,16H2,1-3H3/b8-7?,11-6-.
What are the key properties of 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene?
1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 304.48 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 142304820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).