1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene

C23H36 — CID 155690336

IUPAC1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=C)C(=C(C)C)c1cccc(C)c1C.CC
InChIInChI=1S/C17H22.C4H8.C2H6/c1-11(2)14(6)17(12(3)4)16-10-8-9-13(5)15(16)7;1-4(2)3;1-2/h8-10H,1,6H2,2-5,7H3;1H2,2-3H3;1-2H3
InChIKeyJKILOVYNLPQAPC-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.84
Rot. Bonds3

About 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene

1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene (PubChem CID 155690336) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene
PubChem CID155690336
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=C)C(=C(C)C)c1cccc(C)c1C.CC
InChIInChI=1S/C17H22.C4H8.C2H6/c1-11(2)14(6)17(12(3)4)16-10-8-9-13(5)15(16)7;1-4(2)3;1-2/h8-10H,1,6H2,2-5,7H3;1H2,2-3H3;1-2H3
InChIKeyJKILOVYNLPQAPC-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane
CID 142080417
N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine
CID 143797983
2,3-dimethylbenzoyl iodide
CID 87941796
2,3-dimethylbenzamide;ethane
CID 143389789
ethane;1,2,3-trimethylbenzene
CID 54068667
(3E)-3-(2,3-dimethylphenyl)penta-1,3-diene-2-thiol
CID 143503279
ethane;N,2,3-trimethylbenzamide
CID 178108869
1-[(E)-5-bromopent-2-en-2-yl]-2,3-dimethylbenzene
CID 82088113
(E)-3-(2,3-dimethylphenyl)but-2-enal
CID 71623071
2-methyl-6-prop-1-en-2-ylbenzonitrile
CID 138509680
(2,3-dimethylphenyl)boronic acid;ethane
CID 91164707
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene?
The IUPAC name of 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene (CID 155690336) is 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene.
What is the SMILES notation for 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene?
The canonical SMILES for 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene is C=C(C)C.C=C(C)C(=C)C(=C(C)C)c1cccc(C)c1C.CC.
What is the InChIKey of 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene?
The InChIKey is JKILOVYNLPQAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.C4H8.C2H6/c1-11(2)14(6)17(12(3)4)16-10-8-9-13(5)15(16)7;1-4(2)3;1-2/h8-10H,1,6H2,2-5,7H3;1H2,2-3H3;1-2H3.
What are the key properties of 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene?
1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene has a molecular weight of 312.54 g/mol, XLogP of 7.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-methylidenehexa-2,5-dien-3-yl)-2,3-dimethylbenzene;ethane;2-methylprop-1-ene is sourced from PubChem (CID 155690336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).