ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane

C23H42 — CID 144619694

IUPACethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane
SMILESC=C.C=C/C(C)=C(\C=C/C)C(CCCCCC)CCC(C)CC
InChIInChI=1S/C21H38.C2H4/c1-7-11-12-13-15-20(17-16-18(5)9-3)21(14-8-2)19(6)10-4;1-2/h8,10,14,18,20H,4,7,9,11-13,15-17H2,1-3,5-6H3;1-2H2/b14-8-,21-19+;
InChIKeyCAHZPKUWKCDWOZ-HNHIDZJMSA-N
MW318.59 g/mol
LogP8.28
Rot. Bonds12

About ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane

ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane (PubChem CID 144619694) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane.

Molecular Properties

Compound Nameethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane
PubChem CID144619694
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Nameethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane
SMILESC=C.C=C/C(C)=C(\C=C/C)C(CCCCCC)CCC(C)CC
InChIInChI=1S/C21H38.C2H4/c1-7-11-12-13-15-20(17-16-18(5)9-3)21(14-8-2)19(6)10-4;1-2/h8,10,14,18,20H,4,7,9,11-13,15-17H2,1-3,5-6H3;1-2H2/b14-8-,21-19+;
InChIKeyCAHZPKUWKCDWOZ-HNHIDZJMSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-ethylpentadec-2-en-4-one
CID 11687471
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
3-ethyl-2-methyldodec-1-ene
CID 174845873
methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 143695948
3,13-dimethyltritriacontane
CID 6431058
3,17-dimethylheptatriacontane
CID 6431061
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060

Frequently Asked Questions

What is the IUPAC name of ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane?
The IUPAC name of ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane (CID 144619694) is ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane.
What is the SMILES notation for ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane?
The canonical SMILES for ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane is C=C.C=C/C(C)=C(\C=C/C)C(CCCCCC)CCC(C)CC.
What is the InChIKey of ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane?
The InChIKey is CAHZPKUWKCDWOZ-HNHIDZJMSA-N. The full InChI is InChI=1S/C21H38.C2H4/c1-7-11-12-13-15-20(17-16-18(5)9-3)21(14-8-2)19(6)10-4;1-2/h8,10,14,18,20H,4,7,9,11-13,15-17H2,1-3,5-6H3;1-2H2/b14-8-,21-19+;.
What are the key properties of ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane?
ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane has a molecular weight of 318.59 g/mol, XLogP of 8.28, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methyl-6-[(3Z,5Z)-3-methylhepta-1,3,5-trien-4-yl]dodecane is sourced from PubChem (CID 144619694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).