3-methyl-5-methylideneheptane

C9H18 — CID 54151623

IUPAC3-methyl-5-methylideneheptane
SMILESC=C(CC)CC(C)CC
InChIInChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h9H,3,5-7H2,1-2,4H3
InChIKeyPODMRPKNOJTVSG-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds4

About 3-methyl-5-methylideneheptane

3-methyl-5-methylideneheptane (PubChem CID 54151623) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 3-methyl-5-methylideneheptane.

Molecular Properties

Compound Name3-methyl-5-methylideneheptane
PubChem CID54151623
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name3-methyl-5-methylideneheptane
SMILESC=C(CC)CC(C)CC
InChIInChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h9H,3,5-7H2,1-2,4H3
InChIKeyPODMRPKNOJTVSG-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylideneheptane?
The IUPAC name of 3-methyl-5-methylideneheptane (CID 54151623) is 3-methyl-5-methylideneheptane.
What is the SMILES notation for 3-methyl-5-methylideneheptane?
The canonical SMILES for 3-methyl-5-methylideneheptane is C=C(CC)CC(C)CC.
What is the InChIKey of 3-methyl-5-methylideneheptane?
The InChIKey is PODMRPKNOJTVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-5-8(3)7-9(4)6-2/h9H,3,5-7H2,1-2,4H3.
What are the key properties of 3-methyl-5-methylideneheptane?
3-methyl-5-methylideneheptane has a molecular weight of 126.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylideneheptane is sourced from PubChem (CID 54151623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).