7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid

C16H26O3 — CID 88968532

IUPAC7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid
SMILESC=C(C)C(OC(C)(C)CCCCCC(=O)O)=C1CC1
InChIInChI=1S/C16H26O3/c1-12(2)15(13-9-10-13)19-16(3,4)11-7-5-6-8-14(17)18/h1,5-11H2,2-4H3,(H,17,18)
InChIKeyARQVQQVSYZJIJV-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.44
Rot. Bonds9

About 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid

7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid (PubChem CID 88968532) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid.

Molecular Properties

Compound Name7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid
PubChem CID88968532
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid
SMILESC=C(C)C(OC(C)(C)CCCCCC(=O)O)=C1CC1
InChIInChI=1S/C16H26O3/c1-12(2)15(13-9-10-13)19-16(3,4)11-7-5-6-8-14(17)18/h1,5-11H2,2-4H3,(H,17,18)
InChIKeyARQVQQVSYZJIJV-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-[2-(2-methylprop-2-enoyloxy)propan-2-yloxy]-12-oxododecanoic acid
CID 155658730
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
8-[2-methyl-2-(2-methylprop-2-enoyloxy)propoxy]-8-oxooctanoic acid
CID 155658735
9-methoxy-8,8-dimethyl-9-oxononanoic acid
CID 156679792
6-(2,5-dimethylhexan-2-yloxycarbonylamino)hexanoic acid
CID 135192611
6-(8-hexylhexadecan-8-yloxy)-6-oxohexanoic acid
CID 150932569
7,7-dimethyloctanoic acid;platinum
CID 174840120
6,6-bis(sulfanyl)heptanoic acid
CID 91355522
cerium;6,6-dimethylheptanoic acid;bis(8,8-dimethylnonanoic acid)
CID 56844010
7,7-dimethyloctanoic acid;hafnium
CID 174685338
7,7-dimethyloctanoic acid;mercury
CID 159526990
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408

Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid?
The IUPAC name of 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid (CID 88968532) is 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid.
What is the SMILES notation for 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid?
The canonical SMILES for 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid is C=C(C)C(OC(C)(C)CCCCCC(=O)O)=C1CC1.
What is the InChIKey of 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid?
The InChIKey is ARQVQQVSYZJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12(2)15(13-9-10-13)19-16(3,4)11-7-5-6-8-14(17)18/h1,5-11H2,2-4H3,(H,17,18).
What are the key properties of 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid?
7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid has a molecular weight of 266.38 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclopropylidene-2-methylprop-2-enoxy)-7-methyloctanoic acid is sourced from PubChem (CID 88968532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).