3-butoxy-3,7-dimethyloct-1-ene

C14H28O — CID 174853805

IUPAC3-butoxy-3,7-dimethyloct-1-ene
SMILESC=CC(C)(CCCC(C)C)OCCCC
InChIInChI=1S/C14H28O/c1-6-8-12-15-14(5,7-2)11-9-10-13(3)4/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyUBQNMJYSIDRXFP-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.57
Rot. Bonds9

About 3-butoxy-3,7-dimethyloct-1-ene

3-butoxy-3,7-dimethyloct-1-ene (PubChem CID 174853805) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-butoxy-3,7-dimethyloct-1-ene.

Molecular Properties

Compound Name3-butoxy-3,7-dimethyloct-1-ene
PubChem CID174853805
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-butoxy-3,7-dimethyloct-1-ene
SMILESC=CC(C)(CCCC(C)C)OCCCC
InChIInChI=1S/C14H28O/c1-6-8-12-15-14(5,7-2)11-9-10-13(3)4/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyUBQNMJYSIDRXFP-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 522514
Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran
CID 61665
2,2-Dimethyl-3-(3-methyl-4-penten-1-yl)oxirane
CID 527249
1-Octene, 7-ethoxy-3,7-dimethyl-
CID 86128
1-Octene, 7-methoxy-3,7-dimethyl-
CID 103825
1-Octene, 3-(1-ethoxyethoxy)-3,7-dimethyl-
CID 163400
trans-5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
CID 6429213
cis-5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran
CID 21576892
Oxirane, 2,2-dimethyl-3-[(3S)-3-methyl-4-pentenyl]-
CID 10909791
cis-Anhydrolinalool oxide
CID 6429212
2-Ethyl-5-methyl-5-vinyl-tetrahydrofuran
CID 6431150
(2R,5R)-2-Methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran
CID 21576893

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-3,7-dimethyloct-1-ene?
The IUPAC name of 3-butoxy-3,7-dimethyloct-1-ene (CID 174853805) is 3-butoxy-3,7-dimethyloct-1-ene.
What is the SMILES notation for 3-butoxy-3,7-dimethyloct-1-ene?
The canonical SMILES for 3-butoxy-3,7-dimethyloct-1-ene is C=CC(C)(CCCC(C)C)OCCCC.
What is the InChIKey of 3-butoxy-3,7-dimethyloct-1-ene?
The InChIKey is UBQNMJYSIDRXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-8-12-15-14(5,7-2)11-9-10-13(3)4/h7,13H,2,6,8-12H2,1,3-5H3.
What are the key properties of 3-butoxy-3,7-dimethyloct-1-ene?
3-butoxy-3,7-dimethyloct-1-ene has a molecular weight of 212.38 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-3,7-dimethyloct-1-ene is sourced from PubChem (CID 174853805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).