3-methylhepta-3,4-diene

C8H14 — CID 15581380

IUPAC3-methylhepta-3,4-diene
SMILESCCC=C=C(C)CC
InChIInChI=1S/C8H14/c1-4-6-7-8(3)5-2/h6H,4-5H2,1-3H3
InChIKeyCLUYFODKVYKLSU-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.91
Rot. Bonds2

About 3-methylhepta-3,4-diene

3-methylhepta-3,4-diene (PubChem CID 15581380) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-methylhepta-3,4-diene.

Molecular Properties

Compound Name3-methylhepta-3,4-diene
PubChem CID15581380
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-methylhepta-3,4-diene
SMILESCCC=C=C(C)CC
InChIInChI=1S/C8H14/c1-4-6-7-8(3)5-2/h6H,4-5H2,1-3H3
InChIKeyCLUYFODKVYKLSU-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylhepta-3,4-diene?
The IUPAC name of 3-methylhepta-3,4-diene (CID 15581380) is 3-methylhepta-3,4-diene.
What is the SMILES notation for 3-methylhepta-3,4-diene?
The canonical SMILES for 3-methylhepta-3,4-diene is CCC=C=C(C)CC.
What is the InChIKey of 3-methylhepta-3,4-diene?
The InChIKey is CLUYFODKVYKLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h6H,4-5H2,1-3H3.
What are the key properties of 3-methylhepta-3,4-diene?
3-methylhepta-3,4-diene has a molecular weight of 110.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhepta-3,4-diene is sourced from PubChem (CID 15581380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).