(4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid

C15H24O3 — CID 122181869

IUPAC(4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid
SMILESC=C(CO)[C@@H]1CCC(C)=C([C@H](C)CCC(=O)O)C1
InChIInChI=1S/C15H24O3/c1-10-4-6-13(12(3)9-16)8-14(10)11(2)5-7-15(17)18/h11,13,16H,3-9H2,1-2H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyRYQNGHWRMOMJPK-DGCLKSJQSA-N
MW252.35 g/mol
LogP3.15
Rot. Bonds6

About (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid

(4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid (PubChem CID 122181869) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid.

Molecular Properties

Compound Name(4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid
PubChem CID122181869
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid
SMILESC=C(CO)[C@@H]1CCC(C)=C([C@H](C)CCC(=O)O)C1
InChIInChI=1S/C15H24O3/c1-10-4-6-13(12(3)9-16)8-14(10)11(2)5-7-15(17)18/h11,13,16H,3-9H2,1-2H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyRYQNGHWRMOMJPK-DGCLKSJQSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
15-Hydroxysclerosporin
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12-Hydroxy-sclerosporin
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Mitchellene E
CID 54671805
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
1-Cyclohexene-1-acetic acid, alpha,alpha-dimethyl-4-(2-methylpropyl)-, (+-)-
CID 3039525
Acalycixeniolide I
CID 10471153
(1S,3E,7E,11S,15R)-12-(hydroxymethyl)-4,8-dimethyl-15-(4-methylpent-3-enyl)bicyclo[9.3.1]pentadeca-3,7,12-triene-15-carboxylic acid
CID 76324567
6-Nor-4-hydroxy-1,3(4)-distepuren-14-oic acid
CID 168273354
(4S,4aS,7Z,11aR)-4-[(E)-5-hydroxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-1,4,4a,5,6,9,10,11a-octahydrocyclonona[c]pyran-3-one
CID 101112135
2-[(2R,4aR)-8-(hydroxymethyl)-4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
CID 163059403

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid?
The IUPAC name of (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid (CID 122181869) is (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid.
What is the SMILES notation for (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid?
The canonical SMILES for (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid is C=C(CO)[C@@H]1CCC(C)=C([C@H](C)CCC(=O)O)C1.
What is the InChIKey of (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid?
The InChIKey is RYQNGHWRMOMJPK-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H24O3/c1-10-4-6-13(12(3)9-16)8-14(10)11(2)5-7-15(17)18/h11,13,16H,3-9H2,1-2H3,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid?
(4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5R)-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexen-1-yl]pentanoic acid is sourced from PubChem (CID 122181869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).