(1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol

C27H48O3 — CID 57074787

IUPAC(1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol
SMILESCCCCC=CC[C@@H]1[C@@H](C=CCCCCCCCC)[C@H](OC2CCCCO2)C[C@@H]1O
InChIInChI=1S/C27H48O3/c1-3-5-7-9-10-11-13-15-19-24-23(18-14-12-8-6-4-2)25(28)22-26(24)30-27-20-16-17-21-29-27/h12,14-15,19,23-28H,3-11,13,16-18,20-22H2,1-2H3/t23-,24-,25+,26-,27?/m1/s1
InChIKeyWZMFBWMHEHILNF-MZIUKZFCSA-N
MW420.68 g/mol
LogP7.34
Rot. Bonds15

About (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol

(1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol (PubChem CID 57074787) has the molecular formula C27H48O3 and a molecular weight of 420.68 g/mol. Its IUPAC name is (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol
PubChem CID57074787
Molecular FormulaC27H48O3
Molecular Weight420.68 g/mol
Exact Mass420.36
IUPAC Name(1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol
SMILESCCCCC=CC[C@@H]1[C@@H](C=CCCCCCCCC)[C@H](OC2CCCCO2)C[C@@H]1O
InChIInChI=1S/C27H48O3/c1-3-5-7-9-10-11-13-15-19-24-23(18-14-12-8-6-4-2)25(28)22-26(24)30-27-20-16-17-21-29-27/h12,14-15,19,23-28H,3-11,13,16-18,20-22H2,1-2H3/t23-,24-,25+,26-,27?/m1/s1
InChIKeyWZMFBWMHEHILNF-MZIUKZFCSA-N
XLogP7.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 57.34
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 (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl (7S)-7-fluoro-7-[(1R,2R,3R,5S)-5-hydroxy-2-oct-1-enyl-3-(oxan-2-yloxy)cyclopentyl]-5-methylhept-5-enoate
CID 56991013
(Z)-7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-(tetrahydro-2H-pyran-2-yloxy)oct-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoic Acid
CID 57693005
(Z)-7-((1R,2R,3R,5S)-2-((E)-3,3-difluorooct-1-enyl)-5-hydroxy-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoic Acid
CID 57693007
(3aR,4R,5R,6aS)-4-[(E)-3,3-difluoro-4-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
CID 57693027
(3aR,4R,5R,6aS)-4-[(E)-3,3-difluorooct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 57693030
(Z)-methyl 7-((1R,2R,3R,5S)-2-((E)-3,3-difluorooct-1-enyl)-5-hydroxy-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoate
CID 57693033
[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol
CID 59065314
2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane
CID 59065318
(3aR,4R,5R,6aS)-5-butoxy-4-[(E)-4,4-difluorooct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 68263341
7-[(1R,2R,3R,5S)-2-(3,3-difluorooct-1-enyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 68865923
methyl 7-[(1R,2S,3R,5R)-2-(3,3-difluorooct-1-enyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 68865977
methyl 7-[(1R,2R,3R,5S)-2-(3,3-difluorooct-1-enyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 68865978

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol?
The IUPAC name of (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol (CID 57074787) is (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol is CCCCC=CC[C@@H]1[C@@H](C=CCCCCCCCC)[C@H](OC2CCCCO2)C[C@@H]1O.
What is the InChIKey of (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol?
The InChIKey is WZMFBWMHEHILNF-MZIUKZFCSA-N. The full InChI is InChI=1S/C27H48O3/c1-3-5-7-9-10-11-13-15-19-24-23(18-14-12-8-6-4-2)25(28)22-26(24)30-27-20-16-17-21-29-27/h12,14-15,19,23-28H,3-11,13,16-18,20-22H2,1-2H3/t23-,24-,25+,26-,27?/m1/s1.
What are the key properties of (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol?
(1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol has a molecular weight of 420.68 g/mol, XLogP of 7.34, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol is sourced from PubChem (CID 57074787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).