ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene

C18H28 — CID 143985958

IUPACethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene
SMILESC=C/C(=C\C=C(C)C)CC1=CCCC(C)=C1.CC
InChIInChI=1S/C16H22.C2H6/c1-5-15(10-9-13(2)3)12-16-8-6-7-14(4)11-16;1-2/h5,8-11H,1,6-7,12H2,2-4H3;1-2H3/b15-10+;
InChIKeyOMIAMBSXHVFHOV-GYVLLFFHSA-N
MW244.42 g/mol
LogP6.15
Rot. Bonds4

About ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene

ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene (PubChem CID 143985958) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene
PubChem CID143985958
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Nameethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene
SMILESC=C/C(=C\C=C(C)C)CC1=CCCC(C)=C1.CC
InChIInChI=1S/C16H22.C2H6/c1-5-15(10-9-13(2)3)12-16-8-6-7-14(4)11-16;1-2/h5,8-11H,1,6-7,12H2,2-4H3;1-2H3/b15-10+;
InChIKeyOMIAMBSXHVFHOV-GYVLLFFHSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-3,5-dimethylbenzene
CID 156737958
3-ethyl-1-methylcyclohexa-1,3-diene
CID 91479514
5-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 14219118
ethane;1-methylcyclobutene
CID 91484029
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
1-methylcyclobutene;sulfane
CID 90109296
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol
CID 171119848
1-hydroxy-1-(5-methylcyclohexa-1,5-dien-1-yl)propan-2-one
CID 156646654
(3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol
CID 25209926

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene (CID 143985958) is ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene is C=C/C(=C\C=C(C)C)CC1=CCCC(C)=C1.CC.
What is the InChIKey of ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene?
The InChIKey is OMIAMBSXHVFHOV-GYVLLFFHSA-N. The full InChI is InChI=1S/C16H22.C2H6/c1-5-15(10-9-13(2)3)12-16-8-6-7-14(4)11-16;1-2/h5,8-11H,1,6-7,12H2,2-4H3;1-2H3/b15-10+;.
What are the key properties of ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene?
ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene has a molecular weight of 244.42 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2Z)-2-ethenyl-5-methylhexa-2,4-dienyl]-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143985958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).