3-methoxy-1,5,5-trimethylcyclopentene

C9H16O — CID 86130304

IUPAC3-methoxy-1,5,5-trimethylcyclopentene
SMILESCOC1C=C(C)C(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-5-8(10-4)6-9(7,2)3/h5,8H,6H2,1-4H3
InChIKeyHOIDUPOWMJAMJA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 3-methoxy-1,5,5-trimethylcyclopentene

3-methoxy-1,5,5-trimethylcyclopentene (PubChem CID 86130304) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methoxy-1,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name3-methoxy-1,5,5-trimethylcyclopentene
PubChem CID86130304
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-methoxy-1,5,5-trimethylcyclopentene
SMILESCOC1C=C(C)C(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-5-8(10-4)6-9(7,2)3/h5,8H,6H2,1-4H3
InChIKeyHOIDUPOWMJAMJA-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxy-1,5,5-trimethylcyclopentene?
The IUPAC name of 3-methoxy-1,5,5-trimethylcyclopentene (CID 86130304) is 3-methoxy-1,5,5-trimethylcyclopentene.
What is the SMILES notation for 3-methoxy-1,5,5-trimethylcyclopentene?
The canonical SMILES for 3-methoxy-1,5,5-trimethylcyclopentene is COC1C=C(C)C(C)(C)C1.
What is the InChIKey of 3-methoxy-1,5,5-trimethylcyclopentene?
The InChIKey is HOIDUPOWMJAMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-8(10-4)6-9(7,2)3/h5,8H,6H2,1-4H3.
What are the key properties of 3-methoxy-1,5,5-trimethylcyclopentene?
3-methoxy-1,5,5-trimethylcyclopentene has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,5,5-trimethylcyclopentene is sourced from PubChem (CID 86130304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).