2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane

C13H22O — CID 527239

IUPAC2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane
SMILESCC1CCC=C1C1OCCC1C(C)C
InChIInChI=1S/C13H22O/c1-9(2)11-7-8-14-13(11)12-6-4-5-10(12)3/h6,9-11,13H,4-5,7-8H2,1-3H3
InChIKeyRLVBOJOICUKZPB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.40
Rot. Bonds2

About 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane

2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane (PubChem CID 527239) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane.

Molecular Properties

Compound Name2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane
PubChem CID527239
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane
SMILESCC1CCC=C1C1OCCC1C(C)C
InChIInChI=1S/C13H22O/c1-9(2)11-7-8-14-13(11)12-6-4-5-10(12)3/h6,9-11,13H,4-5,7-8H2,1-3H3
InChIKeyRLVBOJOICUKZPB-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.40
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

Theaspirane
CID 61953
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
Cyclopentene, 2-(ethoxymethyl)-1-methyl-3-(1-methylethenyl)-
CID 60138535
Methyl piperitol
CID 12284330

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane?
The IUPAC name of 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane (CID 527239) is 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane.
What is the SMILES notation for 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane?
The canonical SMILES for 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane is CC1CCC=C1C1OCCC1C(C)C.
What is the InChIKey of 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane?
The InChIKey is RLVBOJOICUKZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9(2)11-7-8-14-13(11)12-6-4-5-10(12)3/h6,9-11,13H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane?
2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane has a molecular weight of 194.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylcyclopenten-1-yl)-3-propan-2-yloxolane is sourced from PubChem (CID 527239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).