4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene

C15H24O — CID 135023269

IUPAC4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene
SMILESC=CCC(OC1CCCC1)C1(C)CC=CC1
InChIInChI=1S/C15H24O/c1-3-8-14(15(2)11-6-7-12-15)16-13-9-4-5-10-13/h3,6-7,13-14H,1,4-5,8-12H2,2H3
InChIKeyOSRMNAOVHRHLEE-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds5

About 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene

4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene (PubChem CID 135023269) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene.

Molecular Properties

Compound Name4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene
PubChem CID135023269
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene
SMILESC=CCC(OC1CCCC1)C1(C)CC=CC1
InChIInChI=1S/C15H24O/c1-3-8-14(15(2)11-6-7-12-15)16-13-9-4-5-10-13/h3,6-7,13-14H,1,4-5,8-12H2,2H3
InChIKeyOSRMNAOVHRHLEE-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Butoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 133053504
4-(3,3-Dimethylbutan-2-yloxy)cyclohexene
CID 19379319
1-Methoxy-3-prop-1-enylcyclopentane
CID 53847773
4-(3,3-Dimethylbutoxy)cyclohexene
CID 57314537
1-[(E)-3,3-dimethylbut-1-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70929254
1-(3,3-Dimethylbut-1-enyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 77956665
1-(methoxymethyl)-1-[(E)-prop-1-enyl]cyclopentane
CID 89190138
1-[(E)-but-2-enyl]-1-(methoxymethyl)cyclopentane
CID 89190140
(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene
CID 89254940
7-Methoxy-2,6,6-trimethyloct-2-ene
CID 89306696
(7R)-7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306697
(7S)-7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306698

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene?
The IUPAC name of 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene (CID 135023269) is 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene.
What is the SMILES notation for 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene?
The canonical SMILES for 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene is C=CCC(OC1CCCC1)C1(C)CC=CC1.
What is the InChIKey of 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene?
The InChIKey is OSRMNAOVHRHLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-3-8-14(15(2)11-6-7-12-15)16-13-9-4-5-10-13/h3,6-7,13-14H,1,4-5,8-12H2,2H3.
What are the key properties of 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene?
4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene has a molecular weight of 220.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyloxybut-3-enyl)-4-methylcyclopentene is sourced from PubChem (CID 135023269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).