(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane

C14H28O2 — CID 143452543

IUPAC(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane
SMILESC=C(/C(OCCC)=C(\C)CO)C(C)C.CC
InChIInChI=1S/C12H22O2.C2H6/c1-6-7-14-12(10(4)8-13)11(5)9(2)3;1-2/h9,13H,5-8H2,1-4H3;1-2H3/b12-10-;
InChIKeyAPGOEUZFTNKIOC-BBJSDXRSSA-N
MW228.38 g/mol
LogP3.92
Rot. Bonds6

About (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane

(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane (PubChem CID 143452543) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane.

Molecular Properties

Compound Name(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane
PubChem CID143452543
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane
SMILESC=C(/C(OCCC)=C(\C)CO)C(C)C.CC
InChIInChI=1S/C12H22O2.C2H6/c1-6-7-14-12(10(4)8-13)11(5)9(2)3;1-2/h9,13H,5-8H2,1-4H3;1-2H3/b12-10-;
InChIKeyAPGOEUZFTNKIOC-BBJSDXRSSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propoxyprop-2-en-1-ol
CID 89416516
(2Z,4Z)-2-ethenyl-4-propan-2-yl-3-propoxyhexa-2,4-dien-1-ol
CID 143452524
butane;ethane;2-methylprop-1-ene
CID 142168819
1-(1-bromoethenoxy)propane
CID 59930688
2-propoxybut-1-ene
CID 22498061
acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate
CID 175389554
2-propoxyprop-2-en-1-amine
CID 129234391
1-(1-fluoroethenoxy)propane
CID 22996827
octyl 3-methyl-2-methylidenebutanoate
CID 139998259
2-methylpropanoic acid;propyl hydrogen carbonate
CID 174790035
azane;propyl 2-methylprop-2-enoate
CID 172812841
4-(4-methyl-3-propoxypenta-1,3-dien-2-yl)oxyphenol
CID 142478081

Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane?
The IUPAC name of (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane (CID 143452543) is (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane.
What is the SMILES notation for (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane?
The canonical SMILES for (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane is C=C(/C(OCCC)=C(\C)CO)C(C)C.CC.
What is the InChIKey of (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane?
The InChIKey is APGOEUZFTNKIOC-BBJSDXRSSA-N. The full InChI is InChI=1S/C12H22O2.C2H6/c1-6-7-14-12(10(4)8-13)11(5)9(2)3;1-2/h9,13H,5-8H2,1-4H3;1-2H3/b12-10-;.
What are the key properties of (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane?
(Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane has a molecular weight of 228.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-dimethyl-4-methylidene-3-propoxyhex-2-en-1-ol;ethane is sourced from PubChem (CID 143452543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).