7-methyloct-1-ene

C9H18 — CID 518714

IUPAC7-methyloct-1-ene
SMILESC=CCCCCC(C)C
InChIInChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyYKHFZRXJMPLNTJ-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds5

About 7-methyloct-1-ene

7-methyloct-1-ene (PubChem CID 518714) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 7-methyloct-1-ene.

Molecular Properties

Compound Name7-methyloct-1-ene
PubChem CID518714
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name7-methyloct-1-ene
SMILESC=CCCCCC(C)C
InChIInChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyYKHFZRXJMPLNTJ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyloct-1-ene?
The IUPAC name of 7-methyloct-1-ene (CID 518714) is 7-methyloct-1-ene.
What is the SMILES notation for 7-methyloct-1-ene?
The canonical SMILES for 7-methyloct-1-ene is C=CCCCCC(C)C.
What is the InChIKey of 7-methyloct-1-ene?
The InChIKey is YKHFZRXJMPLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 7-methyloct-1-ene?
7-methyloct-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloct-1-ene is sourced from PubChem (CID 518714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).