ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene

C17H30 — CID 142048658

IUPACethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C\C1C=CC=CC1(C)/C=C\C.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-4-8-12-9-6-7-11-13(12,3)10-5-2;2*1-2/h4-12H,1-3H3;2*1-2H3/b8-4-,10-5-;;
InChIKeyQTTSIOWTZHIUQF-KKCDERMZSA-N
MW234.43 g/mol
LogP5.94
Rot. Bonds2

About ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene

ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene (PubChem CID 142048658) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
PubChem CID142048658
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C\C1C=CC=CC1(C)/C=C\C.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-4-8-12-9-6-7-11-13(12,3)10-5-2;2*1-2/h4-12H,1-3H3;2*1-2H3/b8-4-,10-5-;;
InChIKeyQTTSIOWTZHIUQF-KKCDERMZSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.94
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

6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine
CID 142922310
1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene
CID 141161555
ethane;5-methyl-6-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 143831212
(E)-3-(6-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enal
CID 141008541
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
phosphoric acid;1-prop-1-enyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 175028211
5-but-1-enyl-6-ethoxy-5-methylcyclohexa-1,3-diene
CID 66824992
(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine
CID 174464445
6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 118142391
sodium oxido-oxo-(5,5,6-trifluoro-6-prop-1-enylcyclohexa-1,3-dien-1-yl)phosphanium
CID 67558110
2,3-dimethyl-2-prop-1-enyloxirane
CID 131852700
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene (CID 142048658) is ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene is C/C=C\C1C=CC=CC1(C)/C=C\C.CC.CC.
What is the InChIKey of ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The InChIKey is QTTSIOWTZHIUQF-KKCDERMZSA-N. The full InChI is InChI=1S/C13H18.2C2H6/c1-4-8-12-9-6-7-11-13(12,3)10-5-2;2*1-2/h4-12H,1-3H3;2*1-2H3/b8-4-,10-5-;;.
What are the key properties of ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene has a molecular weight of 234.43 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 142048658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).