5,9-dimethyl-2-propan-2-yldec-8-enoic acid

C15H28O2 — CID 87889859

IUPAC5,9-dimethyl-2-propan-2-yldec-8-enoic acid
SMILESCC(C)=CCCC(C)CCC(C(=O)O)C(C)C
InChIInChI=1S/C15H28O2/c1-11(2)7-6-8-13(5)9-10-14(12(3)4)15(16)17/h7,12-14H,6,8-10H2,1-5H3,(H,16,17)
InChIKeyCDEWIMIXQLHIIP-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.51
Rot. Bonds8

About 5,9-dimethyl-2-propan-2-yldec-8-enoic acid

5,9-dimethyl-2-propan-2-yldec-8-enoic acid (PubChem CID 87889859) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,9-dimethyl-2-propan-2-yldec-8-enoic acid.

Molecular Properties

Compound Name5,9-dimethyl-2-propan-2-yldec-8-enoic acid
PubChem CID87889859
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5,9-dimethyl-2-propan-2-yldec-8-enoic acid
SMILESCC(C)=CCCC(C)CCC(C(=O)O)C(C)C
InChIInChI=1S/C15H28O2/c1-11(2)7-6-8-13(5)9-10-14(12(3)4)15(16)17/h7,12-14H,6,8-10H2,1-5H3,(H,16,17)
InChIKeyCDEWIMIXQLHIIP-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717
3,7-dimethyl-2-propyloct-6-enoic acid
CID 91153556
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
bis((6S)-2,6-dimethyloct-2-ene);(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 158174482
5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
2,6,10-trimethylundec-2-ene
CID 14805750

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
The IUPAC name of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid (CID 87889859) is 5,9-dimethyl-2-propan-2-yldec-8-enoic acid.
What is the SMILES notation for 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
The canonical SMILES for 5,9-dimethyl-2-propan-2-yldec-8-enoic acid is CC(C)=CCCC(C)CCC(C(=O)O)C(C)C.
What is the InChIKey of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
The InChIKey is CDEWIMIXQLHIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11(2)7-6-8-13(5)9-10-14(12(3)4)15(16)17/h7,12-14H,6,8-10H2,1-5H3,(H,16,17).
What are the key properties of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
5,9-dimethyl-2-propan-2-yldec-8-enoic acid has a molecular weight of 240.39 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-2-propan-2-yldec-8-enoic acid is sourced from PubChem (CID 87889859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).