(E,2R)-2-methylhept-5-enoic acid

C8H14O2 — CID 100977914

IUPAC(E,2R)-2-methylhept-5-enoic acid
SMILESC/C=C/CC[C@@H](C)C(=O)O
InChIInChI=1S/C8H14O2/c1-3-4-5-6-7(2)8(9)10/h3-4,7H,5-6H2,1-2H3,(H,9,10)/b4-3+/t7-/m1/s1
InChIKeyMCVRAVYDLNZUCY-KGGZQZJCSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds4

About (E,2R)-2-methylhept-5-enoic acid

(E,2R)-2-methylhept-5-enoic acid (PubChem CID 100977914) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E,2R)-2-methylhept-5-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-methylhept-5-enoic acid
PubChem CID100977914
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E,2R)-2-methylhept-5-enoic acid
SMILESC/C=C/CC[C@@H](C)C(=O)O
InChIInChI=1S/C8H14O2/c1-3-4-5-6-7(2)8(9)10/h3-4,7H,5-6H2,1-2H3,(H,9,10)/b4-3+/t7-/m1/s1
InChIKeyMCVRAVYDLNZUCY-KGGZQZJCSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
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

(E)-2-methylnon-7-enoic acid
CID 146276957
(Z)-6-hydroxy-2,6,10-trimethylpentadec-13-enoic acid
CID 59229287
2-aminohept-5-enoic acid
CID 54178727
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487
(6E,10E)-2,3-dimethyldodeca-6,10-dienoic acid
CID 87710924
ethyl (Z)-2-methylhept-5-enoate
CID 88926981
3-carboxybutyl-[(E)-2-hydroxyoct-6-enyl]-dimethylazanium
CID 101276529
2,3-dimethylbutan-2-yl 2-methylhept-5-enoate
CID 141089805
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
(E)-2,4-dimethyloct-6-enoic acid
CID 155168823

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-methylhept-5-enoic acid?
The IUPAC name of (E,2R)-2-methylhept-5-enoic acid (CID 100977914) is (E,2R)-2-methylhept-5-enoic acid.
What is the SMILES notation for (E,2R)-2-methylhept-5-enoic acid?
The canonical SMILES for (E,2R)-2-methylhept-5-enoic acid is C/C=C/CC[C@@H](C)C(=O)O.
What is the InChIKey of (E,2R)-2-methylhept-5-enoic acid?
The InChIKey is MCVRAVYDLNZUCY-KGGZQZJCSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-5-6-7(2)8(9)10/h3-4,7H,5-6H2,1-2H3,(H,9,10)/b4-3+/t7-/m1/s1.
What are the key properties of (E,2R)-2-methylhept-5-enoic acid?
(E,2R)-2-methylhept-5-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-methylhept-5-enoic acid is sourced from PubChem (CID 100977914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).