ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane

C29H44 — CID 145108512

IUPACethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane
SMILESC.C=C(C1=CC(C)=C(C)CC1C(C=CCC)CC)c1ccccc1/C=C\C.CC
InChIInChI=1S/C26H34.C2H6.CH4/c1-7-10-14-22(9-3)26-18-20(5)19(4)17-25(26)21(6)24-16-12-11-15-23(24)13-8-2;1-2;/h8,10-17,22,26H,6-7,9,18H2,1-5H3;1-2H3;1H4/b13-8-,14-10?;;
InChIKeyHUBLPEPXEKKGDY-VIRPVVAZSA-N
MW392.67 g/mol
LogP9.67
Rot. Bonds7

About ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane

ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane (PubChem CID 145108512) has the molecular formula C29H44 and a molecular weight of 392.67 g/mol. Its IUPAC name is ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane.

Molecular Properties

Compound Nameethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane
PubChem CID145108512
Molecular FormulaC29H44
Molecular Weight392.67 g/mol
Exact Mass392.34
IUPAC Nameethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane
SMILESC.C=C(C1=CC(C)=C(C)CC1C(C=CCC)CC)c1ccccc1/C=C\C.CC
InChIInChI=1S/C26H34.C2H6.CH4/c1-7-10-14-22(9-3)26-18-20(5)19(4)17-25(26)21(6)24-16-12-11-15-23(24)13-8-2;1-2;/h8,10-17,22,26H,6-7,9,18H2,1-5H3;1-2H3;1H4/b13-8-,14-10?;;
InChIKeyHUBLPEPXEKKGDY-VIRPVVAZSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 59.67
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

1-[1-(3-methyl-6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
CID 142304820
2-methylbutane;1-[1-(6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
CID 163298369
1-but-1-en-2-yl-2-prop-1-enylbenzene
CID 123904805
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
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
ethane;2-methylbuta-1,3-diene;4-methylheptane;1-methyl-2-[(Z)-prop-1-enyl]benzene;prop-1-ene;2,3,4-trimethylpenta-1,3-diene
CID 145312488
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
CID 143293542
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
CID 156725547

Frequently Asked Questions

What is the IUPAC name of ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane?
The IUPAC name of 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) is ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane.
What is the SMILES notation for ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane?
The canonical SMILES for ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane is C.C=C(C1=CC(C)=C(C)CC1C(C=CCC)CC)c1ccccc1/C=C\C.CC.
What is the InChIKey of ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane?
The InChIKey is HUBLPEPXEKKGDY-VIRPVVAZSA-N. The full InChI is InChI=1S/C26H34.C2H6.CH4/c1-7-10-14-22(9-3)26-18-20(5)19(4)17-25(26)21(6)24-16-12-11-15-23(24)13-8-2;1-2;/h8,10-17,22,26H,6-7,9,18H2,1-5H3;1-2H3;1H4/b13-8-,14-10?;;.
What are the key properties of ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane?
ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane has a molecular weight of 392.67 g/mol, XLogP of 9.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hept-4-en-3-yl-1,2-dimethyl-4-[1-[2-[(Z)-prop-1-enyl]phenyl]ethenyl]cyclohexa-1,3-diene;methane is sourced from PubChem (CID 145108512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).