6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene

C21H38 — CID 123223648

IUPAC6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene
SMILESC=CC(CC)CCC(C=C(C)CCCC(C)C)=C(C)CC
InChIInChI=1S/C21H38/c1-8-19(7)21(15-14-20(9-2)10-3)16-18(6)13-11-12-17(4)5/h9,16-17,20H,2,8,10-15H2,1,3-7H3
InChIKeyGOLVRSZEUUCOIE-UHFFFAOYSA-N
MW290.54 g/mol
LogP7.48
Rot. Bonds11

About 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene

6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene (PubChem CID 123223648) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene.

Molecular Properties

Compound Name6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene
PubChem CID123223648
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene
SMILESC=CC(CC)CCC(C=C(C)CCCC(C)C)=C(C)CC
InChIInChI=1S/C21H38/c1-8-19(7)21(15-14-20(9-2)10-3)16-18(6)13-11-12-17(4)5/h9,16-17,20H,2,8,10-15H2,1,3-7H3
InChIKeyGOLVRSZEUUCOIE-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4,8-trimethylnon-3-ene
CID 123973517
5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene
CID 173442657
(E)-4,8-dimethylnon-3-ene
CID 22743489
ethyl (E)-3,7-dimethyloct-2-enoate
CID 87604392
3-ethylhept-1-ene
CID 12923943
(3R)-3-ethyloct-1-ene
CID 50898077
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
CID 170924185
CID 170924185
4,9-dimethyldec-3-ene
CID 91170380
3,12-dimethyltridec-2-enoic acid
CID 54254777

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene?
The IUPAC name of 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene (CID 123223648) is 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene.
What is the SMILES notation for 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene?
The canonical SMILES for 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene is C=CC(CC)CCC(C=C(C)CCCC(C)C)=C(C)CC.
What is the InChIKey of 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene?
The InChIKey is GOLVRSZEUUCOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-8-19(7)21(15-14-20(9-2)10-3)16-18(6)13-11-12-17(4)5/h9,16-17,20H,2,8,10-15H2,1,3-7H3.
What are the key properties of 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene?
6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene has a molecular weight of 290.54 g/mol, XLogP of 7.48, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene is sourced from PubChem (CID 123223648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).