3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene

C15H28O — CID 87448576

IUPAC3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene
SMILESC=CC(C)CCC(OCCC(C)C)=C(C)C
InChIInChI=1S/C15H28O/c1-7-14(6)8-9-15(13(4)5)16-11-10-12(2)3/h7,12,14H,1,8-11H2,2-6H3
InChIKeyRNSWYNNISLFSRZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.95
Rot. Bonds8

About 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene

3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene (PubChem CID 87448576) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene.

Molecular Properties

Compound Name3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene
PubChem CID87448576
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene
SMILESC=CC(C)CCC(OCCC(C)C)=C(C)C
InChIInChI=1S/C15H28O/c1-7-14(6)8-9-15(13(4)5)16-11-10-12(2)3/h7,12,14H,1,8-11H2,2-6H3
InChIKeyRNSWYNNISLFSRZ-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethylhept-1-ene
CID 18443713
3,6-dimethylhept-1-ene;ethane
CID 142076338
3,6,7,10-tetramethylundec-1-ene
CID 123914302
1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
3,8-dimethylnon-1-ene
CID 54356105
3-methylbutyl acetate;oxophosphanium
CID 159706016
(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene
CID 87448606
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
6-(3-methylbutoxy)octa-1,6-diene
CID 87447746
(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene
CID 162828118
3-methylbutyl N-ethenylcarbamate
CID 146374933
(6E)-3-methylocta-1,6-diene
CID 14140905

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene?
The IUPAC name of 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene (CID 87448576) is 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene.
What is the SMILES notation for 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene?
The canonical SMILES for 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene is C=CC(C)CCC(OCCC(C)C)=C(C)C.
What is the InChIKey of 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene?
The InChIKey is RNSWYNNISLFSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-7-14(6)8-9-15(13(4)5)16-11-10-12(2)3/h7,12,14H,1,8-11H2,2-6H3.
What are the key properties of 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene?
3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene has a molecular weight of 224.39 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene is sourced from PubChem (CID 87448576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).