2-methylocta-3,4-diene

C9H16 — CID 123388869

IUPAC2-methylocta-3,4-diene
SMILESCCCC=C=CC(C)C
InChIInChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h6,8-9H,4-5H2,1-3H3
InChIKeyICPVMQCSYFKMQS-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.15
Rot. Bonds3

About 2-methylocta-3,4-diene

2-methylocta-3,4-diene (PubChem CID 123388869) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2-methylocta-3,4-diene.

Molecular Properties

Compound Name2-methylocta-3,4-diene
PubChem CID123388869
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2-methylocta-3,4-diene
SMILESCCCC=C=CC(C)C
InChIInChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h6,8-9H,4-5H2,1-3H3
InChIKeyICPVMQCSYFKMQS-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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Frequently Asked Questions

What is the IUPAC name of 2-methylocta-3,4-diene?
The IUPAC name of 2-methylocta-3,4-diene (CID 123388869) is 2-methylocta-3,4-diene.
What is the SMILES notation for 2-methylocta-3,4-diene?
The canonical SMILES for 2-methylocta-3,4-diene is CCCC=C=CC(C)C.
What is the InChIKey of 2-methylocta-3,4-diene?
The InChIKey is ICPVMQCSYFKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2-methylocta-3,4-diene?
2-methylocta-3,4-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 2-methylocta-3,4-diene is sourced from PubChem (CID 123388869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).