3,4-dimethylnona-1,5-diene

C11H20 — CID 57098033

IUPAC3,4-dimethylnona-1,5-diene
SMILESC=CC(C)C(C)C=CCCC
InChIInChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h6,8-11H,2,5,7H2,1,3-4H3
InChIKeyXKUZBRIMIFXNKL-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds5

About 3,4-dimethylnona-1,5-diene

3,4-dimethylnona-1,5-diene (PubChem CID 57098033) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,4-dimethylnona-1,5-diene.

Molecular Properties

Compound Name3,4-dimethylnona-1,5-diene
PubChem CID57098033
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,4-dimethylnona-1,5-diene
SMILESC=CC(C)C(C)C=CCCC
InChIInChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h6,8-11H,2,5,7H2,1,3-4H3
InChIKeyXKUZBRIMIFXNKL-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
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-methylocta-1,4-diene
CID 123442447
(E)-2,3-dimethyloct-4-ene
CID 173368392
6-but-3-en-2-yl-4-methylundeca-4,7-diene
CID 173062275
6,7,9-trimethyldec-4-ene
CID 123201610
3,4-dimethylhexa-1,5-diene
CID 521244
(E)-2-ethenoxyhept-3-ene
CID 102248112
(6R)-6-methylnon-4-ene
CID 175484589
(5Z)-3-methylnona-1,5-diene
CID 145064168
3,4,7,8-tetramethylnona-1,5-diene
CID 123537739
(5E)-nona-1,5-dien-4-ol
CID 10931514
(1Z)-3,4-dimethylhexa-1,5-dien-1-amine
CID 174319915
(E,2S)-2-methylhept-3-enal
CID 124565519

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylnona-1,5-diene?
The IUPAC name of 3,4-dimethylnona-1,5-diene (CID 57098033) is 3,4-dimethylnona-1,5-diene.
What is the SMILES notation for 3,4-dimethylnona-1,5-diene?
The canonical SMILES for 3,4-dimethylnona-1,5-diene is C=CC(C)C(C)C=CCCC.
What is the InChIKey of 3,4-dimethylnona-1,5-diene?
The InChIKey is XKUZBRIMIFXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h6,8-11H,2,5,7H2,1,3-4H3.
What are the key properties of 3,4-dimethylnona-1,5-diene?
3,4-dimethylnona-1,5-diene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylnona-1,5-diene is sourced from PubChem (CID 57098033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).