(5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol

C13H24O2 — CID 143080299

IUPAC(5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol
SMILESC=C/C=C(\OCCC)C(O)CC(C)(C)C
InChIInChI=1S/C13H24O2/c1-6-8-12(15-9-7-2)11(14)10-13(3,4)5/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8-
InChIKeyQLNIQBOMSILULL-WQLSENKSSA-N
MW212.33 g/mol
LogP3.28
Rot. Bonds6

About (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol

(5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol (PubChem CID 143080299) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol.

Molecular Properties

Compound Name(5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol
PubChem CID143080299
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol
SMILESC=C/C=C(\OCCC)C(O)CC(C)(C)C
InChIInChI=1S/C13H24O2/c1-6-8-12(15-9-7-2)11(14)10-13(3,4)5/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8-
InChIKeyQLNIQBOMSILULL-WQLSENKSSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol?
The IUPAC name of (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol (CID 143080299) is (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol.
What is the SMILES notation for (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol?
The canonical SMILES for (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol is C=C/C=C(\OCCC)C(O)CC(C)(C)C.
What is the InChIKey of (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol?
The InChIKey is QLNIQBOMSILULL-WQLSENKSSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-8-12(15-9-7-2)11(14)10-13(3,4)5/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8-.
What are the key properties of (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol?
(5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol has a molecular weight of 212.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,2-dimethyl-5-propoxyocta-5,7-dien-4-ol is sourced from PubChem (CID 143080299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).