(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene

C13H24O — CID 134943279

IUPAC(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene
SMILESCC(C)(C)OCCCC[C@H]1C=CCC1
InChIInChI=1S/C13H24O/c1-13(2,3)14-11-7-6-10-12-8-4-5-9-12/h4,8,12H,5-7,9-11H2,1-3H3/t12-/m0/s1
InChIKeyXYYHMGSQMSMQJG-LBPRGKRZSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds5

About (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene

(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene (PubChem CID 134943279) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene.

Molecular Properties

Compound Name(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene
PubChem CID134943279
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene
SMILESCC(C)(C)OCCCC[C@H]1C=CCC1
InChIInChI=1S/C13H24O/c1-13(2,3)14-11-7-6-10-12-8-4-5-9-12/h4,8,12H,5-7,9-11H2,1-3H3/t12-/m0/s1
InChIKeyXYYHMGSQMSMQJG-LBPRGKRZSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
10-Ethoxy-1,5,10-trimethylcyclododecadiene
CID 44148878
8-Methyl-1-oxaspiro[4.5]dec-7-ene
CID 21724763
(E,6S,10R,15R,19R,23R)-27-methoxy-2,6,10,15,19,23,27-heptamethyloctacos-8-ene
CID 163201250
(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene
CID 163201263
1-Methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentane
CID 101411636
(r)-(+)-8-t-Butoxy-2,6-dimethyl-2-octene
CID 129775826
7,10-Epoxy-2,6,10-trimethyldodeca-2,11-diene
CID 129845801
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
CID 134966711
CID 134967098
CID 134967098
(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene
CID 135022914
1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane
CID 135032406

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene?
The IUPAC name of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene (CID 134943279) is (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene.
What is the SMILES notation for (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene?
The canonical SMILES for (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene is CC(C)(C)OCCCC[C@H]1C=CCC1.
What is the InChIKey of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene?
The InChIKey is XYYHMGSQMSMQJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24O/c1-13(2,3)14-11-7-6-10-12-8-4-5-9-12/h4,8,12H,5-7,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene?
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene has a molecular weight of 196.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene is sourced from PubChem (CID 134943279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).