(2R)-2-hept-6-enoxypropanoic acid

C10H18O3 — CID 107005963

IUPAC(2R)-2-hept-6-enoxypropanoic acid
SMILESC=CCCCCCO[C@H](C)C(=O)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-13-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m1/s1
InChIKeyXTUSUHXRGSZHBS-SECBINFHSA-N
MW186.25 g/mol
LogP2.22
Rot. Bonds8

About (2R)-2-hept-6-enoxypropanoic acid

(2R)-2-hept-6-enoxypropanoic acid (PubChem CID 107005963) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-hept-6-enoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-hept-6-enoxypropanoic acid
PubChem CID107005963
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R)-2-hept-6-enoxypropanoic acid
SMILESC=CCCCCCO[C@H](C)C(=O)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-13-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m1/s1
InChIKeyXTUSUHXRGSZHBS-SECBINFHSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxypropanoic acid
CID 43128770
(2S)-2-heptoxypropanoic acid
CID 22301798
2-(5-bromopentoxy)propanoic acid
CID 54133516
2-pent-4-enoxypentan-3-one
CID 79112811
oct-7-enyl 2-methylpropanoate
CID 87633860
2-[2-(2-prop-2-enoxyethoxy)ethoxy]propanoic acid
CID 86708289
(2R)-2-methylnon-8-enoic acid
CID 129385535
6-(3-methylbutan-2-yloxy)hex-1-ene
CID 123623641
9-(2-non-8-enoxypropoxy)non-1-ene
CID 168985455
11-(1-ethoxyethoxy)undec-1-ene
CID 10900817
(2R)-2-(4-cyanobutoxy)propanoic acid
CID 104875176
2-fluoro-2-pent-4-enoxyacetic acid
CID 79356959

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hept-6-enoxypropanoic acid?
The IUPAC name of (2R)-2-hept-6-enoxypropanoic acid (CID 107005963) is (2R)-2-hept-6-enoxypropanoic acid.
What is the SMILES notation for (2R)-2-hept-6-enoxypropanoic acid?
The canonical SMILES for (2R)-2-hept-6-enoxypropanoic acid is C=CCCCCCO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-hept-6-enoxypropanoic acid?
The InChIKey is XTUSUHXRGSZHBS-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-7-8-13-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (2R)-2-hept-6-enoxypropanoic acid?
(2R)-2-hept-6-enoxypropanoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hept-6-enoxypropanoic acid is sourced from PubChem (CID 107005963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).