4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one

C14H20O3 — CID 142668021

IUPAC4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one
SMILESC=CCC(O)C1CC(=O)OC1C1CCCC1=C
InChIInChI=1S/C14H20O3/c1-3-5-12(15)11-8-13(16)17-14(11)10-7-4-6-9(10)2/h3,10-12,14-15H,1-2,4-8H2
InChIKeyBLKBGACNROPUSK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds4

About 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one

4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one (PubChem CID 142668021) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one.

Molecular Properties

Compound Name4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one
PubChem CID142668021
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one
SMILESC=CCC(O)C1CC(=O)OC1C1CCCC1=C
InChIInChI=1S/C14H20O3/c1-3-5-12(15)11-8-13(16)17-14(11)10-7-4-6-9(10)2/h3,10-12,14-15H,1-2,4-8H2
InChIKeyBLKBGACNROPUSK-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hydroxypelenolide
CID 131752028
(3S,3aR,4S,6aR,9aR,9bR)-4-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
CID 15628148
Xuelianlactone
CID 147111
(3S,3aS,6E,9S,10S,11aR)-9-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
CID 68344591
(3R,3aS,6aR,9aR,9bS)-3-(hydroxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
CID 10634296
(3R,3aS,9bS)-3-(hydroxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
CID 76315981
(3S,3aR,4S,6aR,9S,9aS,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 10800690
(3R,3aS,6E,9R,10S,11aR)-9-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
CID 101808627
(3S,3aR,4S,6aR,9aR,9bS)-4-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
CID 162862748
(3R,3aS,4R,6S,9E,11aS)-4-hydroxy-3,6,10-trimethyl-3,3a,4,5,6,8,11,11a-octahydrocyclodeca[b]furan-2,7-dione
CID 162958719
(3R,3aR,4S,10S,11aR)-4-hydroxy-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 162982663
(3R,3aR,4S,6Z,10S,11aR)-4-hydroxy-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
CID 162982664

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one?
The IUPAC name of 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one (CID 142668021) is 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one.
What is the SMILES notation for 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one?
The canonical SMILES for 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one is C=CCC(O)C1CC(=O)OC1C1CCCC1=C.
What is the InChIKey of 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one?
The InChIKey is BLKBGACNROPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-5-12(15)11-8-13(16)17-14(11)10-7-4-6-9(10)2/h3,10-12,14-15H,1-2,4-8H2.
What are the key properties of 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one?
4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one is sourced from PubChem (CID 142668021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).