7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid

C15H26O4 — CID 54408449

IUPAC7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1COC[C@H]1COC1CC1
InChIInChI=1S/C15H26O4/c16-15(17)6-4-2-1-3-5-12-9-18-10-13(12)11-19-14-7-8-14/h12-14H,1-11H2,(H,16,17)/t12-,13+/m1/s1
InChIKeyVSKFDBYZUYXGQJ-OLZOCXBDSA-N
MW270.37 g/mol
LogP2.85
Rot. Bonds10

About 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid

7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid (PubChem CID 54408449) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid
PubChem CID54408449
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1COC[C@H]1COC1CC1
InChIInChI=1S/C15H26O4/c16-15(17)6-4-2-1-3-5-12-9-18-10-13(12)11-19-14-7-8-14/h12-14H,1-11H2,(H,16,17)/t12-,13+/m1/s1
InChIKeyVSKFDBYZUYXGQJ-OLZOCXBDSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-octyloxolan-3-yl)heptanoic acid
CID 53463626
7-[4-(cyclohexyloxymethyl)thiolan-3-yl]heptanoic acid
CID 56976923
7-[(3R,4S)-4-(2-phenoxyethyl)oxolan-3-yl]heptanoic acid
CID 70399750
7-[(3R,4S)-4-(phenoxymethyl)oxepan-3-yl]heptanoic acid
CID 143261528
7-(2-cyclopropylcyclopropyl)heptanoic acid
CID 85185916
5-(oxolan-3-yl)pentanoic acid
CID 142409072
5-[2-(5-methoxy-5-oxopentyl)cyclohexyl]pentanoic acid
CID 176900201
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
13-(2-sulfanylcyclopentyl)tridecanoic acid
CID 87483941
7-[4-[2-[(E)-hept-1-enyl]sulfanylethyl]oxolan-3-yl]heptanoic acid
CID 70399631
8-cyclobutyloctanoic acid
CID 72551210
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid?
The IUPAC name of 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid (CID 54408449) is 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid.
What is the SMILES notation for 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid?
The canonical SMILES for 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid is O=C(O)CCCCCC[C@@H]1COC[C@H]1COC1CC1.
What is the InChIKey of 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid?
The InChIKey is VSKFDBYZUYXGQJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26O4/c16-15(17)6-4-2-1-3-5-12-9-18-10-13(12)11-19-14-7-8-14/h12-14H,1-11H2,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid?
7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S,4S)-4-(cyclopropyloxymethyl)oxolan-3-yl]heptanoic acid is sourced from PubChem (CID 54408449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).