(2R)-2-ethyl-6-methylhept-6-enoic acid

C10H18O2 — CID 134846929

IUPAC(2R)-2-ethyl-6-methylhept-6-enoic acid
SMILESC=C(C)CCCC(CC)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-9(10(11)12)7-5-6-8(2)3/h9H,2,4-7H2,1,3H3,(H,11,12)
InChIKeyACVFVCJWMGFJLP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds6

About (2R)-2-ethyl-6-methylhept-6-enoic acid

(2R)-2-ethyl-6-methylhept-6-enoic acid (PubChem CID 134846929) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R)-2-ethyl-6-methylhept-6-enoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-6-methylhept-6-enoic acid
PubChem CID134846929
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R)-2-ethyl-6-methylhept-6-enoic acid
SMILESC=C(C)CCCC(CC)C(=O)O
InChIInChI=1S/C10H18O2/c1-4-9(10(11)12)7-5-6-8(2)3/h9H,2,4-7H2,1,3H3,(H,11,12)
InChIKeyACVFVCJWMGFJLP-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
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

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
3-Isopropenyl-6-oxoheptanoic acid
CID 4488713
Dihydroperillic acid
CID 381256
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
1-Cyclohexene-1-acetic acid, alpha,alpha-dimethyl-4-(2-methylpropyl)-, (+-)-
CID 3039525
2-(Prop-2-en-1-yl)heptanoicacid
CID 13010746
3-Methylenenonanoic acid
CID 118788
(3R,6R)-6-hydroxy-3-isopropenylheptanoate
CID 25201562
(3S,6R)-6-hydroxy-3-isopropenylheptanoate
CID 25245389
4-Methyl-2-propylpent-4-enoic acid
CID 193960
(3R)-3-isopropenyl-6-oxoheptanoic acid
CID 443189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-6-methylhept-6-enoic acid?
The IUPAC name of (2R)-2-ethyl-6-methylhept-6-enoic acid (CID 134846929) is (2R)-2-ethyl-6-methylhept-6-enoic acid.
What is the SMILES notation for (2R)-2-ethyl-6-methylhept-6-enoic acid?
The canonical SMILES for (2R)-2-ethyl-6-methylhept-6-enoic acid is C=C(C)CCCC(CC)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-6-methylhept-6-enoic acid?
The InChIKey is ACVFVCJWMGFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9(10(11)12)7-5-6-8(2)3/h9H,2,4-7H2,1,3H3,(H,11,12).
What are the key properties of (2R)-2-ethyl-6-methylhept-6-enoic acid?
(2R)-2-ethyl-6-methylhept-6-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-6-methylhept-6-enoic acid is sourced from PubChem (CID 134846929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).