3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane

C18H32O — CID 141133570

IUPAC3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane
SMILESCC1CCC(CC=CCCC2CCCOC2)C1(C)C
InChIInChI=1S/C18H32O/c1-15-11-12-17(18(15,2)3)10-6-4-5-8-16-9-7-13-19-14-16/h4,6,15-17H,5,7-14H2,1-3H3
InChIKeyGTRLBGLPBRZFHF-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.21
Rot. Bonds5

About 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane

3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane (PubChem CID 141133570) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane.

Molecular Properties

Compound Name3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane
PubChem CID141133570
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane
SMILESCC1CCC(CC=CCCC2CCCOC2)C1(C)C
InChIInChI=1S/C18H32O/c1-15-11-12-17(18(15,2)3)10-6-4-5-8-16-9-7-13-19-14-16/h4,6,15-17H,5,7-14H2,1-3H3
InChIKeyGTRLBGLPBRZFHF-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.21
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-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane?
The IUPAC name of 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane (CID 141133570) is 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane.
What is the SMILES notation for 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane?
The canonical SMILES for 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane is CC1CCC(CC=CCCC2CCCOC2)C1(C)C.
What is the InChIKey of 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane?
The InChIKey is GTRLBGLPBRZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-15-11-12-17(18(15,2)3)10-6-4-5-8-16-9-7-13-19-14-16/h4,6,15-17H,5,7-14H2,1-3H3.
What are the key properties of 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane?
3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane has a molecular weight of 264.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2,3-trimethylcyclopentyl)pent-3-enyl]oxane is sourced from PubChem (CID 141133570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).