(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol

C20H34O3 — CID 70114574

IUPAC(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol
SMILESOCCCC/C=C\CC1[C@H](C=CCCCCCCO)C=C[C@H]1O
InChIInChI=1S/C20H34O3/c21-16-10-6-2-1-4-8-12-18-14-15-20(23)19(18)13-9-5-3-7-11-17-22/h5,8-9,12,14-15,18-23H,1-4,6-7,10-11,13,16-17H2/b9-5-,12-8?/t18-,19?,20-/m1/s1
InChIKeyMQUNRWYIFHNPID-CNEDNMBLSA-N
MW322.49 g/mol
LogP3.76
Rot. Bonds13

About (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol

(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol (PubChem CID 70114574) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol
PubChem CID70114574
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol
SMILESOCCCC/C=C\CC1[C@H](C=CCCCCCCO)C=C[C@H]1O
InChIInChI=1S/C20H34O3/c21-16-10-6-2-1-4-8-12-18-14-15-20(23)19(18)13-9-5-3-7-11-17-22/h5,8-9,12,14-15,18-23H,1-4,6-7,10-11,13,16-17H2/b9-5-,12-8?/t18-,19?,20-/m1/s1
InChIKeyMQUNRWYIFHNPID-CNEDNMBLSA-N
XLogP3.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.76
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'}

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Related Compounds

7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid
CID 67703843
hexadec-8-ene-1,16-diol
CID 54395986
(1R,2S,4R)-3-[(Z)-7-hydroxyhept-2-enyl]-2-[(E)-8-hydroxyoct-1-enyl]-4-methoxycyclopentan-1-ol
CID 67586033
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
(1R,3S,4S)-2-(7-hydroxyhept-2-enyl)-3-(8-hydroxyoct-1-enyl)-4-prop-2-enoxycyclopentan-1-ol
CID 56986929
(Z)-7-[(1R,2S)-2-(8-hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 67656884
7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide
CID 67657111
methyl (Z)-7-[(2R,3R,5S)-5-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-3-methoxycyclopentyl]hept-5-enoate
CID 67583848
cis-(1R,3S)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E)-6-hydroxyoct-2-enyl]cyclopentane-1,3-diol
CID 70117456
(3S,4S)-3-oct-1-enyl-4-oct-2-enylcyclopentene
CID 57204921
(E)-hexadec-1-ene-1,16-diol
CID 57427575
heptadec-1-ene-1,17-diol
CID 142730253

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol (CID 70114574) is (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol is OCCCC/C=C\CC1[C@H](C=CCCCCCCO)C=C[C@H]1O.
What is the InChIKey of (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol?
The InChIKey is MQUNRWYIFHNPID-CNEDNMBLSA-N. The full InChI is InChI=1S/C20H34O3/c21-16-10-6-2-1-4-8-12-18-14-15-20(23)19(18)13-9-5-3-7-11-17-22/h5,8-9,12,14-15,18-23H,1-4,6-7,10-11,13,16-17H2/b9-5-,12-8?/t18-,19?,20-/m1/s1.
What are the key properties of (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol?
(1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol has a molecular weight of 322.49 g/mol, XLogP of 3.76, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-[(Z)-7-hydroxyhept-2-enyl]-4-(8-hydroxyoct-1-enyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 70114574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).