2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol

C17H30O3 — CID 71375448

IUPAC2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol
SMILESC=C(C=CCCCC)CC1(CCO)COC(C)(C)OC1
InChIInChI=1S/C17H30O3/c1-5-6-7-8-9-15(2)12-17(10-11-18)13-19-16(3,4)20-14-17/h8-9,18H,2,5-7,10-14H2,1,3-4H3
InChIKeyOGDOTTRIWONHGM-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.83
Rot. Bonds8

About 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol

2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol (PubChem CID 71375448) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol
PubChem CID71375448
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol
SMILESC=C(C=CCCCC)CC1(CCO)COC(C)(C)OC1
InChIInChI=1S/C17H30O3/c1-5-6-7-8-9-15(2)12-17(10-11-18)13-19-16(3,4)20-14-17/h8-9,18H,2,5-7,10-14H2,1,3-4H3
InChIKeyOGDOTTRIWONHGM-UHFFFAOYSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol?
The IUPAC name of 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol (CID 71375448) is 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol.
What is the SMILES notation for 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol?
The canonical SMILES for 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol is C=C(C=CCCCC)CC1(CCO)COC(C)(C)OC1.
What is the InChIKey of 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol?
The InChIKey is OGDOTTRIWONHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-5-6-7-8-9-15(2)12-17(10-11-18)13-19-16(3,4)20-14-17/h8-9,18H,2,5-7,10-14H2,1,3-4H3.
What are the key properties of 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol?
2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol has a molecular weight of 282.42 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-5-(2-methylideneoct-3-enyl)-1,3-dioxan-5-yl]ethanol is sourced from PubChem (CID 71375448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).