5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid

C12H20O4 — CID 67743468

IUPAC5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid
SMILESCCC(CC=CC(=O)O)C1(O)CCCC1O
InChIInChI=1S/C12H20O4/c1-2-9(5-3-7-11(14)15)12(16)8-4-6-10(12)13/h3,7,9-10,13,16H,2,4-6,8H2,1H3,(H,14,15)
InChIKeyMHCVXZOEYYQSII-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.32
Rot. Bonds5

About 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid

5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid (PubChem CID 67743468) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid.

Molecular Properties

Compound Name5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid
PubChem CID67743468
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid
SMILESCCC(CC=CC(=O)O)C1(O)CCCC1O
InChIInChI=1S/C12H20O4/c1-2-9(5-3-7-11(14)15)12(16)8-4-6-10(12)13/h3,7,9-10,13,16H,2,4-6,8H2,1H3,(H,14,15)
InChIKeyMHCVXZOEYYQSII-UHFFFAOYSA-N
XLogP1.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
CID 130874578
5-ethylhepta-2,6-dienoic acid
CID 91381848
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79123466
2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
CID 130526368
1-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]propan-1-one
CID 11686947
1-butan-2-yl-8-azabicyclo[3.2.1]octane;(Z)-but-2-enedioic acid
CID 70278404
(E,5S)-5-aminohex-2-enoic acid
CID 55284274
cyclopentane-1,1,2-triol
CID 19830380
(E)-pent-2-enoic acid
CID 638122
(E)-4-[(2-hydroxycyclohexyl)-methylamino]but-2-enoic acid
CID 102632738
4-[methyl-(2-methylcyclohexyl)amino]but-2-enoic acid
CID 76940823
5-hydroxyundec-2-enoic acid
CID 54094975

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid?
The IUPAC name of 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid (CID 67743468) is 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid.
What is the SMILES notation for 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid?
The canonical SMILES for 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid is CCC(CC=CC(=O)O)C1(O)CCCC1O.
What is the InChIKey of 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid?
The InChIKey is MHCVXZOEYYQSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-9(5-3-7-11(14)15)12(16)8-4-6-10(12)13/h3,7,9-10,13,16H,2,4-6,8H2,1H3,(H,14,15).
What are the key properties of 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid?
5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxycyclopentyl)hept-2-enoic acid is sourced from PubChem (CID 67743468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).