ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene

C12H22 — CID 143257359

IUPACethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
SMILESC=C(C)/C=C\C(=C)CCC.CC
InChIInChI=1S/C10H16.C2H6/c1-5-6-10(4)8-7-9(2)3;1-2/h7-8H,2,4-6H2,1,3H3;1-2H3/b8-7-;
InChIKeyJFBNKXWQTUUTLL-CFYXSCKTSA-N
MW166.31 g/mol
LogP4.50
Rot. Bonds4

About ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene

ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene (PubChem CID 143257359) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
PubChem CID143257359
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Nameethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
SMILESC=C(C)/C=C\C(=C)CCC.CC
InChIInChI=1S/C10H16.C2H6/c1-5-6-10(4)8-7-9(2)3;1-2/h7-8H,2,4-6H2,1,3H3;1-2H3/b8-7-;
InChIKeyJFBNKXWQTUUTLL-CFYXSCKTSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.50
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)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
CID 144579461
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
(E)-6-methylidenenon-4-ene
CID 14364497
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(Z)-2-methyl-5-methylideneoct-3-ene
CID 143255945
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene
CID 142561883
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene?
The IUPAC name of ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene (CID 143257359) is ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene?
The canonical SMILES for ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene is C=C(C)/C=C\C(=C)CCC.CC.
What is the InChIKey of ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene?
The InChIKey is JFBNKXWQTUUTLL-CFYXSCKTSA-N. The full InChI is InChI=1S/C10H16.C2H6/c1-5-6-10(4)8-7-9(2)3;1-2/h7-8H,2,4-6H2,1,3H3;1-2H3/b8-7-;.
What are the key properties of ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene?
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene has a molecular weight of 166.31 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 143257359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).