(E,5R)-5-methylhept-3-enoic acid

C8H14O2 — CID 11636814

IUPAC(E,5R)-5-methylhept-3-enoic acid
SMILESCC[C@@H](C)/C=C/CC(=O)O
InChIInChI=1S/C8H14O2/c1-3-7(2)5-4-6-8(9)10/h4-5,7H,3,6H2,1-2H3,(H,9,10)/b5-4+/t7-/m1/s1
InChIKeyMKVITYDVGNJQEE-SMMXGFFBSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds4

About (E,5R)-5-methylhept-3-enoic acid

(E,5R)-5-methylhept-3-enoic acid (PubChem CID 11636814) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E,5R)-5-methylhept-3-enoic acid.

Molecular Properties

Compound Name(E,5R)-5-methylhept-3-enoic acid
PubChem CID11636814
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E,5R)-5-methylhept-3-enoic acid
SMILESCC[C@@H](C)/C=C/CC(=O)O
InChIInChI=1S/C8H14O2/c1-3-7(2)5-4-6-8(9)10/h4-5,7H,3,6H2,1-2H3,(H,9,10)/b5-4+/t7-/m1/s1
InChIKeyMKVITYDVGNJQEE-SMMXGFFBSA-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

5,7-dimethyloct-3-enoic acid
CID 162716826
5-methylnon-3-enoic acid
CID 73071370
(E)-5,6-dimethyloct-3-enoic acid
CID 155168954
(3E)-5-methylocta-3,7-dienoic acid
CID 12676518
(E)-4-methylhex-2-en-1-ol
CID 12036147
[(1E,4E)-2,6-dimethylocta-1,4-dienyl] propanoate
CID 101283023
(Z)-5-methylhept-3-ene
CID 5364727
3,6-dimethyloct-4-ene
CID 73165576
(Z)-2-hydroxyhex-3-enedioic acid
CID 134158770
6-hydroxy-5-methylundec-3-enoic acid
CID 139632743
(E)-6-aminooct-3-enoic acid
CID 169196250
(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
CID 11367593

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-methylhept-3-enoic acid?
The IUPAC name of (E,5R)-5-methylhept-3-enoic acid (CID 11636814) is (E,5R)-5-methylhept-3-enoic acid.
What is the SMILES notation for (E,5R)-5-methylhept-3-enoic acid?
The canonical SMILES for (E,5R)-5-methylhept-3-enoic acid is CC[C@@H](C)/C=C/CC(=O)O.
What is the InChIKey of (E,5R)-5-methylhept-3-enoic acid?
The InChIKey is MKVITYDVGNJQEE-SMMXGFFBSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7(2)5-4-6-8(9)10/h4-5,7H,3,6H2,1-2H3,(H,9,10)/b5-4+/t7-/m1/s1.
What are the key properties of (E,5R)-5-methylhept-3-enoic acid?
(E,5R)-5-methylhept-3-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,5R)-5-methylhept-3-enoic acid is sourced from PubChem (CID 11636814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).