benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane

C25H42 — CID 164901853

IUPACbenzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
SMILESC.C=C/C=C\C(=C)C(=C)/C=C\C=C.CC.CC.CC.c1ccccc1
InChIInChI=1S/C12H14.C6H6.3C2H6.CH4/c1-5-7-9-11(3)12(4)10-8-6-2;1-2-4-6-5-3-1;3*1-2;/h5-10H,1-4H2;1-6H;3*1-2H3;1H4/b9-7-,10-8-;;;;;
InChIKeyDEXZSRYCLYPXGZ-JDAOPEGCSA-N
MW342.61 g/mol
LogP8.98
Rot. Bonds5

About benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane

benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane (PubChem CID 164901853) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane.

Molecular Properties

Compound Namebenzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
PubChem CID164901853
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Namebenzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
SMILESC.C=C/C=C\C(=C)C(=C)/C=C\C=C.CC.CC.CC.c1ccccc1
InChIInChI=1S/C12H14.C6H6.3C2H6.CH4/c1-5-7-9-11(3)12(4)10-8-6-2;1-2-4-6-5-3-1;3*1-2;/h5-10H,1-4H2;1-6H;3*1-2H3;1H4/b9-7-,10-8-;;;;;
InChIKeyDEXZSRYCLYPXGZ-JDAOPEGCSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.98
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

(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
2-methylidenehexa-3,5-dienoic acid;hydrate
CID 87513549
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066

Frequently Asked Questions

What is the IUPAC name of benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane?
The IUPAC name of benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane (CID 164901853) is benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane.
What is the SMILES notation for benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane?
The canonical SMILES for benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane is C.C=C/C=C\C(=C)C(=C)/C=C\C=C.CC.CC.CC.c1ccccc1.
What is the InChIKey of benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane?
The InChIKey is DEXZSRYCLYPXGZ-JDAOPEGCSA-N. The full InChI is InChI=1S/C12H14.C6H6.3C2H6.CH4/c1-5-7-9-11(3)12(4)10-8-6-2;1-2-4-6-5-3-1;3*1-2;/h5-10H,1-4H2;1-6H;3*1-2H3;1H4/b9-7-,10-8-;;;;;.
What are the key properties of benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane?
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane has a molecular weight of 342.61 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane is sourced from PubChem (CID 164901853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).