[(E)-3,7-dimethyloct-1-enoxy]cyclopropane

C13H24O — CID 174976448

IUPAC[(E)-3,7-dimethyloct-1-enoxy]cyclopropane
SMILESCC(C)CCCC(C)/C=C/OC1CC1
InChIInChI=1S/C13H24O/c1-11(2)5-4-6-12(3)9-10-14-13-7-8-13/h9-13H,4-8H2,1-3H3/b10-9+
InChIKeyXZGUFUVGQDTGGT-MDZDMXLPSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds7

About [(E)-3,7-dimethyloct-1-enoxy]cyclopropane

[(E)-3,7-dimethyloct-1-enoxy]cyclopropane (PubChem CID 174976448) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is [(E)-3,7-dimethyloct-1-enoxy]cyclopropane.

Molecular Properties

Compound Name[(E)-3,7-dimethyloct-1-enoxy]cyclopropane
PubChem CID174976448
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name[(E)-3,7-dimethyloct-1-enoxy]cyclopropane
SMILESCC(C)CCCC(C)/C=C/OC1CC1
InChIInChI=1S/C13H24O/c1-11(2)5-4-6-12(3)9-10-14-13-7-8-13/h9-13H,4-8H2,1-3H3/b10-9+
InChIKeyXZGUFUVGQDTGGT-MDZDMXLPSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,11,15-tetramethylhexadec-1-en-1-ol
CID 74375943
2-(3,7-dimethyloct-1-enyl)-1-methyl-3-(2-methylcyclopropyl)cyclobutane
CID 123594595
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecanal
CID 21437669
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-ethoxy-17-methyloctadecane
CID 91042875
(Z,2R)-5,9-dimethyl-2-methylphosphanyldec-3-en-1-amine
CID 126755705
6-methylheptoxycyclohexane
CID 66984925
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
(1-bromo-5-methylhexyl)cyclopropane
CID 63472651

Frequently Asked Questions

What is the IUPAC name of [(E)-3,7-dimethyloct-1-enoxy]cyclopropane?
The IUPAC name of [(E)-3,7-dimethyloct-1-enoxy]cyclopropane (CID 174976448) is [(E)-3,7-dimethyloct-1-enoxy]cyclopropane.
What is the SMILES notation for [(E)-3,7-dimethyloct-1-enoxy]cyclopropane?
The canonical SMILES for [(E)-3,7-dimethyloct-1-enoxy]cyclopropane is CC(C)CCCC(C)/C=C/OC1CC1.
What is the InChIKey of [(E)-3,7-dimethyloct-1-enoxy]cyclopropane?
The InChIKey is XZGUFUVGQDTGGT-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H24O/c1-11(2)5-4-6-12(3)9-10-14-13-7-8-13/h9-13H,4-8H2,1-3H3/b10-9+.
What are the key properties of [(E)-3,7-dimethyloct-1-enoxy]cyclopropane?
[(E)-3,7-dimethyloct-1-enoxy]cyclopropane has a molecular weight of 196.33 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,7-dimethyloct-1-enoxy]cyclopropane is sourced from PubChem (CID 174976448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).