1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol

C30H54O5 — CID 54271737

IUPAC1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol
SMILESCCCCCC(O)C=CC1(CCCCCCCOC2CCCCO2)CCCC1OC1CCCCO1
InChIInChI=1S/C30H54O5/c1-2-3-7-15-26(31)19-22-30(21-14-16-27(30)35-29-18-9-13-25-34-29)20-10-5-4-6-11-23-32-28-17-8-12-24-33-28/h19,22,26-29,31H,2-18,20-21,23-25H2,1H3
InChIKeyRKPRDHHQOHZRFB-UHFFFAOYSA-N
MW494.76 g/mol
LogP7.45
Rot. Bonds17

About 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol

1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol (PubChem CID 54271737) has the molecular formula C30H54O5 and a molecular weight of 494.76 g/mol. Its IUPAC name is 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol.

Molecular Properties

Compound Name1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol
PubChem CID54271737
Molecular FormulaC30H54O5
Molecular Weight494.76 g/mol
Exact Mass494.40
IUPAC Name1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol
SMILESCCCCCC(O)C=CC1(CCCCCCCOC2CCCCO2)CCCC1OC1CCCCO1
InChIInChI=1S/C30H54O5/c1-2-3-7-15-26(31)19-22-30(21-14-16-27(30)35-29-18-9-13-25-34-29)20-10-5-4-6-11-23-32-28-17-8-12-24-33-28/h19,22,26-29,31H,2-18,20-21,23-25H2,1H3
InChIKeyRKPRDHHQOHZRFB-UHFFFAOYSA-N
XLogP7.45
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,4S)-5-(1-hydroxypropan-2-yl)-4-methyl-4-[3-(oxan-2-yloxy)propyl]cyclopent-2-en-1-ol
CID 135011212
7a-Methyl-1-(tetrahydro-2H-pyran-2-yloxy)-2,3,5,6,7,7a-hexahydro-1H-inden-5-ol
CID 559239
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
1-[2-(Oxan-2-yloxy)-1-[7-(oxan-2-yloxy)hept-2-enyl]cyclopentyl]oct-1-en-3-ol
CID 53924253
1-[1-[6-(Oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol
CID 54100850
1-[2-(Oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-yl acetate
CID 54213115
3-[(1S,2S,5S)-2-[(3S)-3-cyclopentyl-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]-2-(hydroxymethyl)-5-[(2R)-oxan-2-yl]oxycyclopentyl]propan-1-ol
CID 54429772
2-[(5R,6R)-5-(oxan-2-yloxy)-6-[8-(oxan-2-yloxy)oct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]but-2-en-1-ol
CID 56614749
cis-(1S,2S)-1-hept-2-enyl-2-[4,4,7-trimethyl-2,8-bis(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
CID 57203062
(E,5S)-1-cyclopentyl-6,6-dimethyl-1-(oxan-2-yloxy)-5-[(2S)-oxan-2-yl]oxydec-3-ene-1,2-diol
CID 68144117
7-[(1S,2S)-2-[4,4-dimethyl-3-(oxan-2-yloxy)oct-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]hept-4-en-1-ol
CID 70396359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol?
The IUPAC name of 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol (CID 54271737) is 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol.
What is the SMILES notation for 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol?
The canonical SMILES for 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol is CCCCCC(O)C=CC1(CCCCCCCOC2CCCCO2)CCCC1OC1CCCCO1.
What is the InChIKey of 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol?
The InChIKey is RKPRDHHQOHZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O5/c1-2-3-7-15-26(31)19-22-30(21-14-16-27(30)35-29-18-9-13-25-34-29)20-10-5-4-6-11-23-32-28-17-8-12-24-33-28/h19,22,26-29,31H,2-18,20-21,23-25H2,1H3.
What are the key properties of 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol?
1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol has a molecular weight of 494.76 g/mol, XLogP of 7.45, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yloxy)-1-[7-(oxan-2-yloxy)heptyl]cyclopentyl]oct-1-en-3-ol is sourced from PubChem (CID 54271737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).