ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane

C14H28 — CID 144746794

IUPACethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
SMILESC.C=C/C(=C\C(=C)C(C)C)CC.CC
InChIInChI=1S/C11H18.C2H6.CH4/c1-6-11(7-2)8-10(5)9(3)4;1-2;/h6,8-9H,1,5,7H2,2-4H3;1-2H3;1H4/b11-8+;;
InChIKeyCERDEOQRSFKVGV-OHENRDTHSA-N
MW196.38 g/mol
LogP5.38
Rot. Bonds4

About ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane

ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane (PubChem CID 144746794) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane.

Molecular Properties

Compound Nameethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
PubChem CID144746794
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
SMILESC.C=C/C(=C\C(=C)C(C)C)CC.CC
InChIInChI=1S/C11H18.C2H6.CH4/c1-6-11(7-2)8-10(5)9(3)4;1-2;/h6,8-9H,1,5,7H2,2-4H3;1-2H3;1H4/b11-8+;;
InChIKeyCERDEOQRSFKVGV-OHENRDTHSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.38
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)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
CID 143522614
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3Z)-4-ethyl-2-nitrohexa-1,3,5-triene
CID 163953046
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
CID 145476448
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
CID 137390509
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
CID 143653088
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
(5Z)-4-methylidene-6-propan-2-ylocta-5,7-dien-3-one
CID 142046409

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane?
The IUPAC name of ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane (CID 144746794) is ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane.
What is the SMILES notation for ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane?
The canonical SMILES for ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane is C.C=C/C(=C\C(=C)C(C)C)CC.CC.
What is the InChIKey of ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane?
The InChIKey is CERDEOQRSFKVGV-OHENRDTHSA-N. The full InChI is InChI=1S/C11H18.C2H6.CH4/c1-6-11(7-2)8-10(5)9(3)4;1-2;/h6,8-9H,1,5,7H2,2-4H3;1-2H3;1H4/b11-8+;;.
What are the key properties of ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane?
ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane has a molecular weight of 196.38 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane is sourced from PubChem (CID 144746794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).