(1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol

C16H30O3 — CID 58918239

IUPAC(1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol
SMILESCCCC/C=C\CC1[C@@H](CC[C@H](C)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-7-8-13-14(10-9-12(2)17)16(19)11-15(13)18/h6-7,12-19H,3-5,8-11H2,1-2H3/b7-6-/t12-,13?,14+,15-,16+/m0/s1
InChIKeyKOGRPFZRUBPVJB-XUJLVAQJSA-N
MW270.41 g/mol
LogP2.64
Rot. Bonds8

About (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol

(1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol (PubChem CID 58918239) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol
PubChem CID58918239
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol
SMILESCCCC/C=C\CC1[C@@H](CC[C@H](C)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-7-8-13-14(10-9-12(2)17)16(19)11-15(13)18/h6-7,12-19H,3-5,8-11H2,1-2H3/b7-6-/t12-,13?,14+,15-,16+/m0/s1
InChIKeyKOGRPFZRUBPVJB-XUJLVAQJSA-N
XLogP2.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 52.64
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

13,14-Dihydro-PGF2alpha
CID 5283080
(E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
CID 6434009
8-Acoren-3,11-diol
CID 156581681
Prostaglandin F2alpha alcohol
CID 5283100
Prostaglandin F1alpha Alcohol
CID 16061105
(1R,3R,3aS,4S,8aR)-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulene-1,3,4-triol
CID 101821176
3beta-Hydroxy-beta-acorenol
CID 146682793
10-Cycloneren-3,5,7-triol
CID 156581679
7-[3,5-Dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
CID 33799
(2-Ethoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl)methanol
CID 561671
4-(7-Hydroxyheptyl)-5-(3-hydroxyoct-1-enyl)cyclopentane-1,3-diol
CID 53394173
(1S,3S,4R,5R)-4-[2-(1-hydroxycyclopropyl)ethyl]-5-prop-2-enylcyclopentane-1,3-diol
CID 164674974

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol?
The IUPAC name of (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol (CID 58918239) is (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol.
What is the SMILES notation for (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol?
The canonical SMILES for (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol is CCCC/C=C\CC1[C@@H](CC[C@H](C)O)[C@H](O)C[C@@H]1O.
What is the InChIKey of (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol?
The InChIKey is KOGRPFZRUBPVJB-XUJLVAQJSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-6-7-8-13-14(10-9-12(2)17)16(19)11-15(13)18/h6-7,12-19H,3-5,8-11H2,1-2H3/b7-6-/t12-,13?,14+,15-,16+/m0/s1.
What are the key properties of (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol?
(1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol has a molecular weight of 270.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-4-[(Z)-hept-2-enyl]-5-[(3S)-3-hydroxybutyl]cyclopentane-1,3-diol is sourced from PubChem (CID 58918239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).