(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid

C17H32O3 — CID 6476240

IUPAC(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid
SMILESCCCC(C)C(C/C(C)=C/CC[C@H](C)CCO)C(=O)O
InChIInChI=1S/C17H32O3/c1-5-7-15(4)16(17(19)20)12-14(3)9-6-8-13(2)10-11-18/h9,13,15-16,18H,5-8,10-12H2,1-4H3,(H,19,20)/b14-9+/t13-,15?,16?/m0/s1
InChIKeyXPYZTOJIOLCDPV-WKIOLGRYSA-N
MW284.44 g/mol
LogP4.26
Rot. Bonds11

About (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid

(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid (PubChem CID 6476240) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid.

Molecular Properties

Compound Name(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid
PubChem CID6476240
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid
SMILESCCCC(C)C(C/C(C)=C/CC[C@H](C)CCO)C(=O)O
InChIInChI=1S/C17H32O3/c1-5-7-15(4)16(17(19)20)12-14(3)9-6-8-13(2)10-11-18/h9,13,15-16,18H,5-8,10-12H2,1-4H3,(H,19,20)/b14-9+/t13-,15?,16?/m0/s1
InChIKeyXPYZTOJIOLCDPV-WKIOLGRYSA-N
XLogP4.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid with MolForge

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Related Compounds

(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
CID 6476237
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
3,7-dimethyl-2-propyloct-6-enoic acid
CID 91153556
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol
CID 174503934
(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
CID 162767085
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
5,9-dimethyl-2-propan-2-yldec-8-enoic acid
CID 87889859
(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid
CID 143996574

Frequently Asked Questions

What is the IUPAC name of (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid?
The IUPAC name of (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid (CID 6476240) is (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid.
What is the SMILES notation for (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid?
The canonical SMILES for (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid is CCCC(C)C(C/C(C)=C/CC[C@H](C)CCO)C(=O)O.
What is the InChIKey of (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid?
The InChIKey is XPYZTOJIOLCDPV-WKIOLGRYSA-N. The full InChI is InChI=1S/C17H32O3/c1-5-7-15(4)16(17(19)20)12-14(3)9-6-8-13(2)10-11-18/h9,13,15-16,18H,5-8,10-12H2,1-4H3,(H,19,20)/b14-9+/t13-,15?,16?/m0/s1.
What are the key properties of (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid?
(E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8S)-10-hydroxy-4,8-dimethyl-2-pentan-2-yldec-4-enoic acid is sourced from PubChem (CID 6476240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).