5-methylocta-2,3-diene

C9H16 — CID 123151584

IUPAC5-methylocta-2,3-diene
SMILESCC=C=CC(C)CCC
InChIInChI=1S/C9H16/c1-4-6-8-9(3)7-5-2/h4,8-9H,5,7H2,1-3H3
InChIKeyYDQYXZAWSRQGDI-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.15
Rot. Bonds3

About 5-methylocta-2,3-diene

5-methylocta-2,3-diene (PubChem CID 123151584) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 5-methylocta-2,3-diene.

Molecular Properties

Compound Name5-methylocta-2,3-diene
PubChem CID123151584
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name5-methylocta-2,3-diene
SMILESCC=C=CC(C)CCC
InChIInChI=1S/C9H16/c1-4-6-8-9(3)7-5-2/h4,8-9H,5,7H2,1-3H3
InChIKeyYDQYXZAWSRQGDI-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methylnona-2,3-diene
CID 123230605
(Z)-4-methylhept-2-ene
CID 5352649
ethyl 2-propylhexa-3,4-dienoate
CID 121217079
5-pent-1-en-3-ylnona-2,3-diene
CID 134994883
potassium;hydride;2-methylpentanal
CID 173401246
(E)-3-methylhex-1-ene-1-thiol
CID 88973793
(6R)-6-methylnon-4-ene
CID 175484589
2-methylpentanal;propanal
CID 23460116
2-methylpentylidenephosphane
CID 90893799
(E)-5-methyloct-3-en-2-ol
CID 87272942
6,7-dimethyldeca-3,4-diene
CID 123960916
(E)-N,4-dimethylhept-2-en-1-amine
CID 131243211

Frequently Asked Questions

What is the IUPAC name of 5-methylocta-2,3-diene?
The IUPAC name of 5-methylocta-2,3-diene (CID 123151584) is 5-methylocta-2,3-diene.
What is the SMILES notation for 5-methylocta-2,3-diene?
The canonical SMILES for 5-methylocta-2,3-diene is CC=C=CC(C)CCC.
What is the InChIKey of 5-methylocta-2,3-diene?
The InChIKey is YDQYXZAWSRQGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-6-8-9(3)7-5-2/h4,8-9H,5,7H2,1-3H3.
What are the key properties of 5-methylocta-2,3-diene?
5-methylocta-2,3-diene has a molecular weight of 124.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylocta-2,3-diene is sourced from PubChem (CID 123151584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).