(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol

C24H46O2 — CID 70547983

IUPAC(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol
SMILESCCCCCCCC(O)C=C[C@H]1CC[C@H](O)[C@@H]1CCCCCC(C)CC
InChIInChI=1S/C24H46O2/c1-4-6-7-8-11-14-22(25)18-16-21-17-19-24(26)23(21)15-12-9-10-13-20(3)5-2/h16,18,20-26H,4-15,17,19H2,1-3H3/t20?,21-,22?,23+,24-/m0/s1
InChIKeyZLGVMDVCSLCAJP-DZOQWKQOSA-N
MW366.63 g/mol
LogP6.65
Rot. Bonds15

About (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol

(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol (PubChem CID 70547983) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol
PubChem CID70547983
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol
SMILESCCCCCCCC(O)C=C[C@H]1CC[C@H](O)[C@@H]1CCCCCC(C)CC
InChIInChI=1S/C24H46O2/c1-4-6-7-8-11-14-22(25)18-16-21-17-19-24(26)23(21)15-12-9-10-13-20(3)5-2/h16,18,20-26H,4-15,17,19H2,1-3H3/t20?,21-,22?,23+,24-/m0/s1
InChIKeyZLGVMDVCSLCAJP-DZOQWKQOSA-N
XLogP6.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
CID 70116464
(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
CID 154004373
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
[(2R)-3-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-2-hydroxypropyl] 10-methyldodecanoate
CID 157005572
8-[2-hydroxy-5-[(E)-3-hydroxynon-1-enyl]cyclopentyl]oct-6-ynoic acid
CID 21403608
methyl (E)-7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 14214746
(2R,3R,4S)-4-hydroxy-3-(7-hydroxyheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 35021085
[(2S)-2-hydroxy-3-[7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoyloxy]propyl] 10-methyldodecanoate
CID 157005565
2-nonylcyclopentane-1,3-diol
CID 163304158
[(2R)-1-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoyloxy]-3-phosphonooxypropan-2-yl] 18-methylicosanoate
CID 156970556
(E,8S)-8-hydroxy-10-[(1S,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl]dec-9-enoic acid
CID 171116223
7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
CID 35022353

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol?
The IUPAC name of (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol (CID 70547983) is (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol is CCCCCCCC(O)C=C[C@H]1CC[C@H](O)[C@@H]1CCCCCC(C)CC.
What is the InChIKey of (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol?
The InChIKey is ZLGVMDVCSLCAJP-DZOQWKQOSA-N. The full InChI is InChI=1S/C24H46O2/c1-4-6-7-8-11-14-22(25)18-16-21-17-19-24(26)23(21)15-12-9-10-13-20(3)5-2/h16,18,20-26H,4-15,17,19H2,1-3H3/t20?,21-,22?,23+,24-/m0/s1.
What are the key properties of (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol?
(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol has a molecular weight of 366.63 g/mol, XLogP of 6.65, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol is sourced from PubChem (CID 70547983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).