methanol;4-propylcyclopentene

C9H18O — CID 142833285

IUPACmethanol;4-propylcyclopentene
SMILESCCCC1CC=CC1.CO
InChIInChI=1S/C8H14.CH4O/c1-2-5-8-6-3-4-7-8;1-2/h3-4,8H,2,5-7H2,1H3;2H,1H3
InChIKeyVKVYGFVCGMBYLV-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds2

About methanol;4-propylcyclopentene

methanol;4-propylcyclopentene (PubChem CID 142833285) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is methanol;4-propylcyclopentene.

Molecular Properties

Compound Namemethanol;4-propylcyclopentene
PubChem CID142833285
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namemethanol;4-propylcyclopentene
SMILESCCCC1CC=CC1.CO
InChIInChI=1S/C8H14.CH4O/c1-2-5-8-6-3-4-7-8;1-2/h3-4,8H,2,5-7H2,1H3;2H,1H3
InChIKeyVKVYGFVCGMBYLV-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
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 methanol;4-propylcyclopentene?
The IUPAC name of methanol;4-propylcyclopentene (CID 142833285) is methanol;4-propylcyclopentene.
What is the SMILES notation for methanol;4-propylcyclopentene?
The canonical SMILES for methanol;4-propylcyclopentene is CCCC1CC=CC1.CO.
What is the InChIKey of methanol;4-propylcyclopentene?
The InChIKey is VKVYGFVCGMBYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.CH4O/c1-2-5-8-6-3-4-7-8;1-2/h3-4,8H,2,5-7H2,1H3;2H,1H3.
What are the key properties of methanol;4-propylcyclopentene?
methanol;4-propylcyclopentene has a molecular weight of 142.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-propylcyclopentene is sourced from PubChem (CID 142833285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).