3,4-dimethyl-7-propan-2-yldeca-2,7-diene

C15H28 — CID 123965899

IUPAC3,4-dimethyl-7-propan-2-yldeca-2,7-diene
SMILESCC=C(C)C(C)CCC(=CCC)C(C)C
InChIInChI=1S/C15H28/c1-7-9-15(12(3)4)11-10-14(6)13(5)8-2/h8-9,12,14H,7,10-11H2,1-6H3
InChIKeyIQDUQLMCBUVOMP-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.36
Rot. Bonds6

About 3,4-dimethyl-7-propan-2-yldeca-2,7-diene

3,4-dimethyl-7-propan-2-yldeca-2,7-diene (PubChem CID 123965899) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 3,4-dimethyl-7-propan-2-yldeca-2,7-diene.

Molecular Properties

Compound Name3,4-dimethyl-7-propan-2-yldeca-2,7-diene
PubChem CID123965899
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name3,4-dimethyl-7-propan-2-yldeca-2,7-diene
SMILESCC=C(C)C(C)CCC(=CCC)C(C)C
InChIInChI=1S/C15H28/c1-7-9-15(12(3)4)11-10-14(6)13(5)8-2/h8-9,12,14H,7,10-11H2,1-6H3
InChIKeyIQDUQLMCBUVOMP-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.36
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

(Z)-6,7-dimethylnon-7-en-3-one
CID 155583051
(Z)-4,5-dimethylhept-3-ene
CID 142511472
20-[[(2E,7Z)-3-cyclopropyl-7-propan-2-yldeca-2,7-dien-4-yl]amino]-20-oxoicosanoic acid
CID 174104975
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
3,8,9-trimethylundeca-1,9-diene
CID 123230555
(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
4,5-dimethylhept-5-enylidenecyclopropane
CID 123250038
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
2,3,5-trimethylocta-1,5-diene
CID 123730712
(E)-4,8-dimethylnon-3-ene
CID 22743489
(Z)-4,7-dimethyl-6-methylideneoct-3-ene
CID 143694445

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-propan-2-yldeca-2,7-diene?
The IUPAC name of 3,4-dimethyl-7-propan-2-yldeca-2,7-diene (CID 123965899) is 3,4-dimethyl-7-propan-2-yldeca-2,7-diene.
What is the SMILES notation for 3,4-dimethyl-7-propan-2-yldeca-2,7-diene?
The canonical SMILES for 3,4-dimethyl-7-propan-2-yldeca-2,7-diene is CC=C(C)C(C)CCC(=CCC)C(C)C.
What is the InChIKey of 3,4-dimethyl-7-propan-2-yldeca-2,7-diene?
The InChIKey is IQDUQLMCBUVOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-7-9-15(12(3)4)11-10-14(6)13(5)8-2/h8-9,12,14H,7,10-11H2,1-6H3.
What are the key properties of 3,4-dimethyl-7-propan-2-yldeca-2,7-diene?
3,4-dimethyl-7-propan-2-yldeca-2,7-diene has a molecular weight of 208.39 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-propan-2-yldeca-2,7-diene is sourced from PubChem (CID 123965899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).