(Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid

C17H32O2 — CID 88954056

IUPAC(Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid
SMILESCC(/C=C\CC(C)(C)C)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C17H32O2/c1-13(10-9-11-15(2,3)4)16(5,6)12-17(7,8)14(18)19/h9-10,13H,11-12H2,1-8H3,(H,18,19)/b10-9-
InChIKeyNMJVGXJEJUVBOB-KTKRTIGZSA-N
MW268.44 g/mol
LogP5.14
Rot. Bonds6

About (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid

(Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid (PubChem CID 88954056) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid.

Molecular Properties

Compound Name(Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid
PubChem CID88954056
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid
SMILESCC(/C=C\CC(C)(C)C)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C17H32O2/c1-13(10-9-11-15(2,3)4)16(5,6)12-17(7,8)14(18)19/h9-10,13H,11-12H2,1-8H3,(H,18,19)/b10-9-
InChIKeyNMJVGXJEJUVBOB-KTKRTIGZSA-N
XLogP5.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid?
The IUPAC name of (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid (CID 88954056) is (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid.
What is the SMILES notation for (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid?
The canonical SMILES for (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid is CC(/C=C\CC(C)(C)C)C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid?
The InChIKey is NMJVGXJEJUVBOB-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H32O2/c1-13(10-9-11-15(2,3)4)16(5,6)12-17(7,8)14(18)19/h9-10,13H,11-12H2,1-8H3,(H,18,19)/b10-9-.
What are the key properties of (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid?
(Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid has a molecular weight of 268.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid is sourced from PubChem (CID 88954056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).