1,3-dimethyl-2-(2-methylidenebutoxy)benzene

C13H18O — CID 83056814

IUPAC1,3-dimethyl-2-(2-methylidenebutoxy)benzene
SMILESC=C(CC)COc1c(C)cccc1C
InChIInChI=1S/C13H18O/c1-5-10(2)9-14-13-11(3)7-6-8-12(13)4/h6-8H,2,5,9H2,1,3-4H3
InChIKeyKVCLDLIQVXJIMH-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.65
Rot. Bonds4

About 1,3-dimethyl-2-(2-methylidenebutoxy)benzene

1,3-dimethyl-2-(2-methylidenebutoxy)benzene (PubChem CID 83056814) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylidenebutoxy)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methylidenebutoxy)benzene
PubChem CID83056814
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1,3-dimethyl-2-(2-methylidenebutoxy)benzene
SMILESC=C(CC)COc1c(C)cccc1C
InChIInChI=1S/C13H18O/c1-5-10(2)9-14-13-11(3)7-6-8-12(13)4/h6-8H,2,5,9H2,1,3-4H3
InChIKeyKVCLDLIQVXJIMH-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
(NZ)-N-[1-(2,6-dimethylphenoxy)propan-2-ylidene]hydroxylamine
CID 22789784
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
1,3-dimethyl-2-propoxybenzene
CID 579040
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
CID 112610694

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methylidenebutoxy)benzene?
The IUPAC name of 1,3-dimethyl-2-(2-methylidenebutoxy)benzene (CID 83056814) is 1,3-dimethyl-2-(2-methylidenebutoxy)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(2-methylidenebutoxy)benzene?
The canonical SMILES for 1,3-dimethyl-2-(2-methylidenebutoxy)benzene is C=C(CC)COc1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-(2-methylidenebutoxy)benzene?
The InChIKey is KVCLDLIQVXJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-5-10(2)9-14-13-11(3)7-6-8-12(13)4/h6-8H,2,5,9H2,1,3-4H3.
What are the key properties of 1,3-dimethyl-2-(2-methylidenebutoxy)benzene?
1,3-dimethyl-2-(2-methylidenebutoxy)benzene has a molecular weight of 190.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methylidenebutoxy)benzene is sourced from PubChem (CID 83056814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).