(E)-7,7-dimethyloct-3-enoic acid

C10H18O2 — CID 155169121

IUPAC(E)-7,7-dimethyloct-3-enoic acid
SMILESCC(C)(C)CC/C=C/CC(=O)O
InChIInChI=1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-5H,6-8H2,1-3H3,(H,11,12)/b5-4+
InChIKeyYPRCCWILHQEHHN-SNAWJCMRSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds4

About (E)-7,7-dimethyloct-3-enoic acid

(E)-7,7-dimethyloct-3-enoic acid (PubChem CID 155169121) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-7,7-dimethyloct-3-enoic acid.

Molecular Properties

Compound Name(E)-7,7-dimethyloct-3-enoic acid
PubChem CID155169121
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-7,7-dimethyloct-3-enoic acid
SMILESCC(C)(C)CC/C=C/CC(=O)O
InChIInChI=1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-5H,6-8H2,1-3H3,(H,11,12)/b5-4+
InChIKeyYPRCCWILHQEHHN-SNAWJCMRSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(E)-6-aminohex-3-enoic acid
CID 19017972
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
(3E)-octa-3,7-dienoic acid
CID 12688314
oct-3-enedioic acid
CID 162155605
octa-3,7-dienoic acid
CID 71318533
icosa-3,11,17-trienoic acid
CID 162425893
(3E,9E,17E)-icosa-3,9,17-trienoic acid
CID 166679790
(3E)-hexadeca-3,14-dienoic acid
CID 175109549
7-hydroxyoct-3-enoic acid
CID 85299253
(E)-N,N,6,6-tetramethylhept-2-enamide
CID 176757797
(E)-4-sulfanylbut-3-enoic acid
CID 87827662
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-dimethyloct-3-enoic acid?
The IUPAC name of (E)-7,7-dimethyloct-3-enoic acid (CID 155169121) is (E)-7,7-dimethyloct-3-enoic acid.
What is the SMILES notation for (E)-7,7-dimethyloct-3-enoic acid?
The canonical SMILES for (E)-7,7-dimethyloct-3-enoic acid is CC(C)(C)CC/C=C/CC(=O)O.
What is the InChIKey of (E)-7,7-dimethyloct-3-enoic acid?
The InChIKey is YPRCCWILHQEHHN-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-5H,6-8H2,1-3H3,(H,11,12)/b5-4+.
What are the key properties of (E)-7,7-dimethyloct-3-enoic acid?
(E)-7,7-dimethyloct-3-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-dimethyloct-3-enoic acid is sourced from PubChem (CID 155169121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).