3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene

C21H38 — CID 173001307

IUPAC3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene
SMILESC=CC(C)CC(C)(C)CC(C=CC(C)CC)=CCC(C)C
InChIInChI=1S/C21H38/c1-9-18(5)12-14-20(13-11-17(3)4)16-21(7,8)15-19(6)10-2/h10,12-14,17-19H,2,9,11,15-16H2,1,3-8H3
InChIKeyIZPDYRCDZUOPNL-UHFFFAOYSA-N
MW290.54 g/mol
LogP7.19
Rot. Bonds10

About 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene

3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene (PubChem CID 173001307) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene.

Molecular Properties

Compound Name3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene
PubChem CID173001307
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene
SMILESC=CC(C)CC(C)(C)CC(C=CC(C)CC)=CCC(C)C
InChIInChI=1S/C21H38/c1-9-18(5)12-14-20(13-11-17(3)4)16-21(7,8)15-19(6)10-2/h10,12-14,17-19H,2,9,11,15-16H2,1,3-8H3
InChIKeyIZPDYRCDZUOPNL-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.19
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

Beta-Carotene
CID 5280489
Beta-Phellandrene
CID 11142
Alpha-Carotene
CID 6419725
Germacrene D
CID 5317570
Torulene
CID 5281253
Axerophthene
CID 5287722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
(-)-beta-Phellandrene
CID 443161
gamma-Carotene
CID 5280791
9-Cis-Beta-Carotene
CID 9828626
(13Z)-beta-Carotene
CID 10256668
d-beta-Phellandrene
CID 442484

Frequently Asked Questions

What is the IUPAC name of 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene?
The IUPAC name of 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene (CID 173001307) is 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene.
What is the SMILES notation for 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene?
The canonical SMILES for 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene is C=CC(C)CC(C)(C)CC(C=CC(C)CC)=CCC(C)C.
What is the InChIKey of 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene?
The InChIKey is IZPDYRCDZUOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-9-18(5)12-14-20(13-11-17(3)4)16-21(7,8)15-19(6)10-2/h10,12-14,17-19H,2,9,11,15-16H2,1,3-8H3.
What are the key properties of 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene?
3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene has a molecular weight of 290.54 g/mol, XLogP of 7.19, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,10-tetramethyl-7-(3-methylbutylidene)dodeca-1,8-diene is sourced from PubChem (CID 173001307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).