trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol

C19H36O3 — CID 70620028

IUPACtrans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
SMILESCCCCCC(O)/C=C/[C@@]1(CCCCCCO)CCC[C@H]1O
InChIInChI=1S/C19H36O3/c1-2-3-6-10-17(21)12-15-19(14-9-11-18(19)22)13-7-4-5-8-16-20/h12,15,17-18,20-22H,2-11,13-14,16H2,1H3/b15-12+/t17?,18-,19-/m1/s1
InChIKeyFHJPRPPQNROYJT-CDCVGAGASA-N
MW312.49 g/mol
LogP3.96
Rot. Bonds12

About trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol

trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol (PubChem CID 70620028) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
PubChem CID70620028
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Nametrans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
SMILESCCCCCC(O)/C=C/[C@@]1(CCCCCCO)CCC[C@H]1O
InChIInChI=1S/C19H36O3/c1-2-3-6-10-17(21)12-15-19(14-9-11-18(19)22)13-7-4-5-8-16-20/h12,15,17-18,20-22H,2-11,13-14,16H2,1H3/b15-12+/t17?,18-,19-/m1/s1
InChIKeyFHJPRPPQNROYJT-CDCVGAGASA-N
XLogP3.96
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.96
H-Bond Donors ≤ 53
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 trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol with MolForge

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Related Compounds

6a-[(3S)-3-hydroxyoct-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
CID 91510295
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
3-[(1R,2R)-2-hydroxy-1-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopentyl]propanenitrile
CID 90300942
cyclohexanol;octan-1-ol
CID 67205561
(Z)-undec-2-en-4-ol
CID 14320443
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
icosane-1,9-diol
CID 22758044
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol (CID 70620028) is trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol is CCCCCC(O)/C=C/[C@@]1(CCCCCCO)CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
The InChIKey is FHJPRPPQNROYJT-CDCVGAGASA-N. The full InChI is InChI=1S/C19H36O3/c1-2-3-6-10-17(21)12-15-19(14-9-11-18(19)22)13-7-4-5-8-16-20/h12,15,17-18,20-22H,2-11,13-14,16H2,1H3/b15-12+/t17?,18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol?
trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol has a molecular weight of 312.49 g/mol, XLogP of 3.96, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(6-hydroxyhexyl)-2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol is sourced from PubChem (CID 70620028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).