4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid

C8H15O4P — CID 166931605

IUPAC4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid
SMILESC=C(C)C(CCC(=O)O)CP(O)O
InChIInChI=1S/C8H15O4P/c1-6(2)7(5-13(11)12)3-4-8(9)10/h7,11-12H,1,3-5H2,2H3,(H,9,10)
InChIKeyDRMBDEPZAADWBN-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.34
Rot. Bonds6

About 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid

4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid (PubChem CID 166931605) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid.

Molecular Properties

Compound Name4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid
PubChem CID166931605
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid
SMILESC=C(C)C(CCC(=O)O)CP(O)O
InChIInChI=1S/C8H15O4P/c1-6(2)7(5-13(11)12)3-4-8(9)10/h7,11-12H,1,3-5H2,2H3,(H,9,10)
InChIKeyDRMBDEPZAADWBN-UHFFFAOYSA-N
XLogP1.34
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5-methyl-4-(2-oxoethyl)hex-5-enoic acid
CID 122408291
6-methyl-3-prop-1-en-2-ylhept-6-enoic acid
CID 175242671
4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid
CID 175242680
2-[[2-carboxyethyl(hydroxy)phosphanyl]methyl]pentanedioic acid
CID 123658144
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
2-[[hydroperoxy(hydroxy)phosphanyl]methyl]pentanedioic acid
CID 56603712
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
hex-5-ene-1,3,5-tricarboxylic acid
CID 19981164
butanedioic acid;bis(2-methylprop-2-enoic acid)
CID 87659592
2-(acetylsulfanylmethyl)pentanedioic acid
CID 57201524
14-hydroxy-15-methylhexadec-15-enoic acid
CID 551190
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239

Frequently Asked Questions

What is the IUPAC name of 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid?
The IUPAC name of 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid (CID 166931605) is 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid.
What is the SMILES notation for 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid?
The canonical SMILES for 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid is C=C(C)C(CCC(=O)O)CP(O)O.
What is the InChIKey of 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid?
The InChIKey is DRMBDEPZAADWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-6(2)7(5-13(11)12)3-4-8(9)10/h7,11-12H,1,3-5H2,2H3,(H,9,10).
What are the key properties of 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid?
4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid has a molecular weight of 206.18 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid is sourced from PubChem (CID 166931605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).