2,5-dimethyloct-7-enoic acid

C10H18O2 — CID 155168749

IUPAC2,5-dimethyloct-7-enoic acid
SMILESC=CCC(C)CCC(C)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-5-8(2)6-7-9(3)10(11)12/h4,8-9H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyWFMHGGMWVPNPEI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.70
Rot. Bonds6

About 2,5-dimethyloct-7-enoic acid

2,5-dimethyloct-7-enoic acid (PubChem CID 155168749) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,5-dimethyloct-7-enoic acid.

Molecular Properties

Compound Name2,5-dimethyloct-7-enoic acid
PubChem CID155168749
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,5-dimethyloct-7-enoic acid
SMILESC=CCC(C)CCC(C)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-5-8(2)6-7-9(3)10(11)12/h4,8-9H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyWFMHGGMWVPNPEI-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.70
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

but-1-ene;(2S)-2-methylheptanoic acid;(2S)-2-methylpent-4-enoic acid
CID 161164628
6-methylnon-8-en-2-one
CID 87772414
(2R)-2-methylnon-8-enoic acid
CID 129385535
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
but-1-ene;tris((2S)-2-methylhept-4-enoic acid);(2S)-2-methylpent-4-enoic acid
CID 158960658
2,6-dimethyloct-7-enoic acid
CID 59229292
ethane;4-methylocta-1,7-diene
CID 144616064
2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
5-hydroxy-2-methylhexanoic acid
CID 19873756
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid
CID 88520661

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyloct-7-enoic acid?
The IUPAC name of 2,5-dimethyloct-7-enoic acid (CID 155168749) is 2,5-dimethyloct-7-enoic acid.
What is the SMILES notation for 2,5-dimethyloct-7-enoic acid?
The canonical SMILES for 2,5-dimethyloct-7-enoic acid is C=CCC(C)CCC(C)C(=O)O.
What is the InChIKey of 2,5-dimethyloct-7-enoic acid?
The InChIKey is WFMHGGMWVPNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-8(2)6-7-9(3)10(11)12/h4,8-9H,1,5-7H2,2-3H3,(H,11,12).
What are the key properties of 2,5-dimethyloct-7-enoic acid?
2,5-dimethyloct-7-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyloct-7-enoic acid is sourced from PubChem (CID 155168749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).