5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene

C22H38 — CID 173442657

IUPAC5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene
SMILESC=CC(CC)CCCC(CCC(=C)C)=C(CC)CCC(=C)C
InChIInChI=1S/C22H38/c1-8-20(9-2)12-11-13-22(17-15-19(6)7)21(10-3)16-14-18(4)5/h8,20H,1,4,6,9-17H2,2-3,5,7H3
InChIKeyRWBIQTAPIRYUJH-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.79
Rot. Bonds13

About 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene

5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene (PubChem CID 173442657) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene.

Molecular Properties

Compound Name5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene
PubChem CID173442657
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene
SMILESC=CC(CC)CCCC(CCC(=C)C)=C(CC)CCC(=C)C
InChIInChI=1S/C22H38/c1-8-20(9-2)12-11-13-22(17-15-19(6)7)21(10-3)16-14-18(4)5/h8,20H,1,4,6,9-17H2,2-3,5,7H3
InChIKeyRWBIQTAPIRYUJH-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethylhept-1-ene
CID 12923943
(3R)-3-ethyloct-1-ene
CID 50898077
6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene
CID 123223648
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
(5E)-3-ethyl-7-methylidenenona-1,5-diene
CID 22448221
3-ethylnon-1-en-8-yne
CID 123457209
3-ethyltetradeca-1,7-diene
CID 173182513
(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene
CID 143234953
5-ethenyl-2-methyldodec-2-ene
CID 134980281
3,7-dimethyl-2-methylideneoct-7-enal
CID 138692608
(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene
CID 143261301
2,7-dimethylnon-1-ene
CID 123682074

Frequently Asked Questions

What is the IUPAC name of 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene?
The IUPAC name of 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene (CID 173442657) is 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene.
What is the SMILES notation for 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene?
The canonical SMILES for 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene is C=CC(CC)CCCC(CCC(=C)C)=C(CC)CCC(=C)C.
What is the InChIKey of 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene?
The InChIKey is RWBIQTAPIRYUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-8-20(9-2)12-11-13-22(17-15-19(6)7)21(10-3)16-14-18(4)5/h8,20H,1,4,6,9-17H2,2-3,5,7H3.
What are the key properties of 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene?
5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene has a molecular weight of 302.55 g/mol, XLogP of 7.79, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene is sourced from PubChem (CID 173442657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).