(1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol

C23H40O4 — CID 56986929

IUPAC(1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol
SMILESC=CCO[C@H]1C[C@@H](O)C(CC=CCCCCO)[C@@H]1C=CCCCCCCO
InChIInChI=1S/C23H40O4/c1-2-18-27-23-19-22(26)20(14-10-7-5-9-13-17-25)21(23)15-11-6-3-4-8-12-16-24/h2,7,10-11,15,20-26H,1,3-6,8-9,12-14,16-19H2/t20?,21-,22+,23-/m0/s1
InChIKeyIIIZDBBHHIGBBY-GLCCWIKHSA-N
MW380.57 g/mol
LogP4.16
Rot. Bonds16

About (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol

(1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol (PubChem CID 56986929) has the molecular formula C23H40O4 and a molecular weight of 380.57 g/mol. Its IUPAC name is (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol
PubChem CID56986929
Molecular FormulaC23H40O4
Molecular Weight380.57 g/mol
Exact Mass380.29
IUPAC Name(1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol
SMILESC=CCO[C@H]1C[C@@H](O)C(CC=CCCCCO)[C@@H]1C=CCCCCCCO
InChIInChI=1S/C23H40O4/c1-2-18-27-23-19-22(26)20(14-10-7-5-9-13-17-25)21(23)15-11-6-3-4-8-12-16-24/h2,7,10-11,15,20-26H,1,3-6,8-9,12-14,16-19H2/t20?,21-,22+,23-/m0/s1
InChIKeyIIIZDBBHHIGBBY-GLCCWIKHSA-N
XLogP4.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(1R,2S,4R)-3-[(Z)-7-hydroxyhept-2-enyl]-2-[(E)-8-hydroxyoct-1-enyl]-4-methoxycyclopentan-1-ol
CID 67586033
methyl (Z)-7-[(2R,3R,5S)-5-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-3-methoxycyclopentyl]hept-5-enoate
CID 67583848
(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol
CID 70114574
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-non-1-enylcyclopentyl]hept-5-enoic acid
CID 54269454
octadeca-9,17-dien-1-ol
CID 78409331
7-(2-ethenyl-3,5-dihydroxycyclopentyl)hept-5-enamide
CID 123603173
ethyl (Z)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoate
CID 70598644
(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-oct-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 15199063
(E)-7-[2-[(E)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 154825399
cis-(1R,3S)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E)-6-hydroxyoct-2-enyl]cyclopentane-1,3-diol
CID 70117456
trans-(4R,5R)-4-[4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-5-(7-hydroxyhept-2-enyl)cyclopentane-1,3-diol
CID 91440427
1-[2-(7-hydroxyhept-2-enyl)-3,5-dimethoxycyclopentyl]oct-1-en-3-ol
CID 91151253

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol?
The IUPAC name of (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol (CID 56986929) is (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol.
What is the SMILES notation for (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol?
The canonical SMILES for (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol is C=CCO[C@H]1C[C@@H](O)C(CC=CCCCCO)[C@@H]1C=CCCCCCCO.
What is the InChIKey of (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol?
The InChIKey is IIIZDBBHHIGBBY-GLCCWIKHSA-N. The full InChI is InChI=1S/C23H40O4/c1-2-18-27-23-19-22(26)20(14-10-7-5-9-13-17-25)21(23)15-11-6-3-4-8-12-16-24/h2,7,10-11,15,20-26H,1,3-6,8-9,12-14,16-19H2/t20?,21-,22+,23-/m0/s1.
What are the key properties of (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol?
(1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol has a molecular weight of 380.57 g/mol, XLogP of 4.16, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol is sourced from PubChem (CID 56986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).