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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Related Compounds

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CID 86185185
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CID 90727032
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CID 129764895
6,6,8-Trimethyl-1,3,3a,4,7,8,8a,8b-octahydrocyclopenta[e][2]benzofuran
CID 170841927
(1S,4S,6S,9R,10E,12R,15R)-4,9,12-trimethyl-15-prop-1-en-2-yl-5-oxatricyclo[10.3.0.04,6]pentadec-10-ene
CID 163111324
5-[1-Methoxy-2-(methoxymethyl)-3-methylbutan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 19985402
5-(Octadecoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 20314850
4-n-Octyloxymethylbicyclo[2.2.1]hept-2-ene
CID 22222983
3-[5-(2-Bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
CID 23555975
3-[6-(2-Bicyclo[2.2.1]hept-5-enyl)hexyl]oxolane
CID 23555981
3-[8-(2-Bicyclo[2.2.1]hept-5-enyl)octyl]oxolane
CID 23555982
trans-(1S,2S)-1-(6-methoxyhex-1-enyl)-2-octylcyclopentane
CID 57233115

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).