(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid

C12H22O3 — CID 88891643

IUPAC(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid
SMILESCC(C)[C@H](O)[C@H](C)CC/C=C/CC(=O)O
InChIInChI=1S/C12H22O3/c1-9(2)12(15)10(3)7-5-4-6-8-11(13)14/h4,6,9-10,12,15H,5,7-8H2,1-3H3,(H,13,14)/b6-4+/t10-,12+/m1/s1
InChIKeyCRHSQGJAJMNCFV-UIALCFJWSA-N
MW214.30 g/mol
LogP2.45
Rot. Bonds7

About (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid

(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid (PubChem CID 88891643) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid.

Molecular Properties

Compound Name(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid
PubChem CID88891643
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid
SMILESCC(C)[C@H](O)[C@H](C)CC/C=C/CC(=O)O
InChIInChI=1S/C12H22O3/c1-9(2)12(15)10(3)7-5-4-6-8-11(13)14/h4,6,9-10,12,15H,5,7-8H2,1-3H3,(H,13,14)/b6-4+/t10-,12+/m1/s1
InChIKeyCRHSQGJAJMNCFV-UIALCFJWSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.45
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

7-hydroxyoct-3-enoic acid
CID 85299253
2,4,8-trimethylnon-7-en-3-ol
CID 3015367
7-aminonon-3-enedioic acid
CID 175407467
(3E,9E,17E)-icosa-3,9,17-trienoic acid
CID 166679790
icosa-3,11,17-trienoic acid
CID 162425893
(E)-6-aminohex-3-enoic acid
CID 19017972
3-hydroxynon-6-enoic acid
CID 57374123
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
(E)-7,7-dimethyloct-3-enoic acid
CID 155169121
6-[[(2S)-2-aminopropanoyl]amino]hept-3-enoic acid
CID 88625586
(E)-6-oxohept-3-enedioic acid
CID 15386024
(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid
CID 87710924

Frequently Asked Questions

What is the IUPAC name of (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid?
The IUPAC name of (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid (CID 88891643) is (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid.
What is the SMILES notation for (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid?
The canonical SMILES for (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid is CC(C)[C@H](O)[C@H](C)CC/C=C/CC(=O)O.
What is the InChIKey of (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid?
The InChIKey is CRHSQGJAJMNCFV-UIALCFJWSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)12(15)10(3)7-5-4-6-8-11(13)14/h4,6,9-10,12,15H,5,7-8H2,1-3H3,(H,13,14)/b6-4+/t10-,12+/m1/s1.
What are the key properties of (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid?
(E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,8S)-8-hydroxy-7,9-dimethyldec-3-enoic acid is sourced from PubChem (CID 88891643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).