1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol

C24H42O3 — CID 54100850

IUPAC1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol
SMILESCCCCCC(O)C=CC1(CCCCCCOC2CCCCO2)CC=CC1
InChIInChI=1S/C24H42O3/c1-2-3-6-13-22(25)15-19-24(17-9-10-18-24)16-8-4-5-11-20-26-23-14-7-12-21-27-23/h9-10,15,19,22-23,25H,2-8,11-14,16-18,20-21H2,1H3
InChIKeyNAJZHOYNDODFKU-UHFFFAOYSA-N
MW378.60 g/mol
LogP6.31
Rot. Bonds14

About 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol

1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol (PubChem CID 54100850) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol.

Molecular Properties

Compound Name1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol
PubChem CID54100850
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol
SMILESCCCCCC(O)C=CC1(CCCCCCOC2CCCCO2)CC=CC1
InChIInChI=1S/C24H42O3/c1-2-3-6-13-22(25)15-19-24(17-9-10-18-24)16-8-4-5-11-20-26-23-14-7-12-21-27-23/h9-10,15,19,22-23,25H,2-8,11-14,16-18,20-21H2,1H3
InChIKeyNAJZHOYNDODFKU-UHFFFAOYSA-N
XLogP6.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol with MolForge

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Related Compounds

(1S,4S)-5-(1-hydroxypropan-2-yl)-4-methyl-4-[3-(oxan-2-yloxy)propyl]cyclopent-2-en-1-ol
CID 135011212
(E,4S,6S,8R,10S)-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undec-2-en-1-ol
CID 175678465
(E)-5,5-diethoxy-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
CID 11045135
(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol
CID 11186054
(E)-14-(oxan-2-yloxy)tetradec-4-en-3-ol
CID 11461122
(4S)-3,3-dimethyl-4-tetrahydropyranyloxy-1-hydroxymethylcyclohexene
CID 13924113
[1-[1-(Oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]methanol
CID 20328687
(6E)-2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6-dien-3-ol
CID 21242293
7-[(1S,2S)-2-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]heptan-1-ol
CID 22808749
1-[3-(Oxan-2-yloxy)-1-[6-(oxan-2-yloxy)hexyl]cyclopentyl]oct-1-en-3-ol
CID 53692495
1-[1-[6-(Oxan-2-yloxy)hexyl]cyclohexyl]oct-1-en-3-ol
CID 53762550
2,6,10-Trimethyl-12-(oxan-2-yloxy)dodeca-1,6-dien-3-ol
CID 53814107

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
The IUPAC name of 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol (CID 54100850) is 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol.
What is the SMILES notation for 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
The canonical SMILES for 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol is CCCCCC(O)C=CC1(CCCCCCOC2CCCCO2)CC=CC1.
What is the InChIKey of 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
The InChIKey is NAJZHOYNDODFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-2-3-6-13-22(25)15-19-24(17-9-10-18-24)16-8-4-5-11-20-26-23-14-7-12-21-27-23/h9-10,15,19,22-23,25H,2-8,11-14,16-18,20-21H2,1H3.
What are the key properties of 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol has a molecular weight of 378.60 g/mol, XLogP of 6.31, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol is sourced from PubChem (CID 54100850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).