(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid

C18H34O2 — CID 88560041

IUPAC(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid
SMILESCC(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C18H34O2/c1-15(2,3)12-16(4,5)10-11-17(6,7)13-18(8,9)14(19)20/h10-11H,12-13H2,1-9H3,(H,19,20)/b11-10-
InChIKeyOWARQUMYWBHFPQ-KHPPLWFESA-N
MW282.47 g/mol
LogP5.53
Rot. Bonds6

About (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid

(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid (PubChem CID 88560041) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid.

Molecular Properties

Compound Name(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid
PubChem CID88560041
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid
SMILESCC(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C18H34O2/c1-15(2,3)12-16(4,5)10-11-17(6,7)13-18(8,9)14(19)20/h10-11H,12-13H2,1-9H3,(H,19,20)/b11-10-
InChIKeyOWARQUMYWBHFPQ-KHPPLWFESA-N
XLogP5.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.53
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

2,2,4,4,7,7,9,9-octamethyldec-5-ene
CID 90796396
2,2,4,4,7,7,9,9-octamethyldec-5-enal
CID 123537893
2,4,4-trimethyl-2-(trideuteriomethyl)pentanoic acid
CID 118042012
(E)-4,4,6,6-tetramethylhept-2-ene
CID 20870209
carboxymethyl-dimethyl-[3-[[(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoyl]amino]propyl]azanium
CID 145481720
4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
(Z)-2,2,4,4,7,7,8,8-octamethylnon-5-enamide
CID 144603472
4-amino-2,2,4-trimethylhexanoic acid
CID 89085708
2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol
CID 146601894
(Z)-2,2,4,4,5,9,9-heptamethyldec-6-enoic acid
CID 88954056
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-triacontamethylnonapentacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosacarboxylic acid
CID 177116159
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid?
The IUPAC name of (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid (CID 88560041) is (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid.
What is the SMILES notation for (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid?
The canonical SMILES for (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid is CC(C)(C)CC(C)(C)/C=C\C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid?
The InChIKey is OWARQUMYWBHFPQ-KHPPLWFESA-N. The full InChI is InChI=1S/C18H34O2/c1-15(2,3)12-16(4,5)10-11-17(6,7)13-18(8,9)14(19)20/h10-11H,12-13H2,1-9H3,(H,19,20)/b11-10-.
What are the key properties of (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid?
(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid has a molecular weight of 282.47 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid is sourced from PubChem (CID 88560041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).