(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol

C13H24O2 — CID 143077184

IUPAC(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol
SMILESC=C(C)O/C(=C\CC)C(O)CC(C)(C)C
InChIInChI=1S/C13H24O2/c1-7-8-12(15-10(2)3)11(14)9-13(4,5)6/h8,11,14H,2,7,9H2,1,3-6H3/b12-8-
InChIKeyPULBMEGDTSVGQO-WQLSENKSSA-N
MW212.33 g/mol
LogP3.63
Rot. Bonds5

About (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol

(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol (PubChem CID 143077184) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol.

Molecular Properties

Compound Name(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol
PubChem CID143077184
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol
SMILESC=C(C)O/C(=C\CC)C(O)CC(C)(C)C
InChIInChI=1S/C13H24O2/c1-7-8-12(15-10(2)3)11(14)9-13(4,5)6/h8,11,14H,2,7,9H2,1,3-6H3/b12-8-
InChIKeyPULBMEGDTSVGQO-WQLSENKSSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol
CID 101004521
ethane;(Z)-3-ethoxy-6,6-dimethylhept-2-en-4-ol;(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol;(Z)-4-ethoxy-1,1,1-trifluorohex-4-en-3-ol
CID 143076474
2-(2-Methylpropoxy)cyclohex-2-en-1-ol
CID 13333792
2-Ethoxy-4,4-dimethylhepta-1,6-dien-3-ol
CID 86074072
(4Z)-4-ethoxy-2,2,6-trimethylhepta-4,6-dien-3-ol
CID 101669719
1-(3,3-Dimethyl-2,4-dihydropyran-6-yl)cyclobutan-1-ol
CID 125478538
2-(2-Methylpropoxy)cyclopent-2-en-1-ol
CID 130130175
(1S)-2-(2-methylpropoxy)cyclopent-2-en-1-ol
CID 130629635
(1S)-2-(2-methylpropoxy)cyclohex-2-en-1-ol
CID 130741523
1-(4,4-Dimethyl-2,3-dihydropyran-6-yl)cyclobutan-1-ol
CID 135078002
3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanol
CID 130855556
(E)-4-methoxy-2,2-dimethylhex-4-en-3-ol
CID 13541711

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol?
The IUPAC name of (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol (CID 143077184) is (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol.
What is the SMILES notation for (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol?
The canonical SMILES for (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol is C=C(C)O/C(=C\CC)C(O)CC(C)(C)C.
What is the InChIKey of (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol?
The InChIKey is PULBMEGDTSVGQO-WQLSENKSSA-N. The full InChI is InChI=1S/C13H24O2/c1-7-8-12(15-10(2)3)11(14)9-13(4,5)6/h8,11,14H,2,7,9H2,1,3-6H3/b12-8-.
What are the key properties of (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol?
(Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol has a molecular weight of 212.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethyl-5-prop-1-en-2-yloxyoct-5-en-4-ol is sourced from PubChem (CID 143077184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).