9-(3-methylbutoxy)nona-3,5-diyne

C14H22O — CID 163024471

IUPAC9-(3-methylbutoxy)nona-3,5-diyne
SMILESCCC#CC#CCCCOCCC(C)C
InChIInChI=1S/C14H22O/c1-4-5-6-7-8-9-10-12-15-13-11-14(2)3/h14H,4,9-13H2,1-3H3
InChIKeyGTGUOHSUVINDHQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.25
Rot. Bonds6

About 9-(3-methylbutoxy)nona-3,5-diyne

9-(3-methylbutoxy)nona-3,5-diyne (PubChem CID 163024471) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 9-(3-methylbutoxy)nona-3,5-diyne.

Molecular Properties

Compound Name9-(3-methylbutoxy)nona-3,5-diyne
PubChem CID163024471
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name9-(3-methylbutoxy)nona-3,5-diyne
SMILESCCC#CC#CCCCOCCC(C)C
InChIInChI=1S/C14H22O/c1-4-5-6-7-8-9-10-12-15-13-11-14(2)3/h14H,4,9-13H2,1-3H3
InChIKeyGTGUOHSUVINDHQ-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(3-methylbutoxy)nona-3,5-diyne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diisopentyl ether
CID 10989
Bis(2-methylbutyl) ether
CID 4584641
1-Butoxy-3-methylbutane
CID 545578
3-Methylbutyl propyl ether
CID 21894256
1-Isobutoxy-3-methylbutane
CID 21894302
1-Butoxy-2-methylbutane
CID 545254
(s)-2-Methylbutyl ether
CID 88654618
Isoamyl 2-methylbutyl ether
CID 57967500
3-Methyl-1-prop-2-ynoxybutane
CID 87948706
1-(2-But-2-ynoxyethoxy)-3-methylbutane
CID 167156674
1-Ethoxy-3-methylpentyne
CID 23268684
7-Ethoxyhept-3-yne
CID 101054452

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbutoxy)nona-3,5-diyne?
The IUPAC name of 9-(3-methylbutoxy)nona-3,5-diyne (CID 163024471) is 9-(3-methylbutoxy)nona-3,5-diyne.
What is the SMILES notation for 9-(3-methylbutoxy)nona-3,5-diyne?
The canonical SMILES for 9-(3-methylbutoxy)nona-3,5-diyne is CCC#CC#CCCCOCCC(C)C.
What is the InChIKey of 9-(3-methylbutoxy)nona-3,5-diyne?
The InChIKey is GTGUOHSUVINDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-6-7-8-9-10-12-15-13-11-14(2)3/h14H,4,9-13H2,1-3H3.
What are the key properties of 9-(3-methylbutoxy)nona-3,5-diyne?
9-(3-methylbutoxy)nona-3,5-diyne has a molecular weight of 206.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbutoxy)nona-3,5-diyne is sourced from PubChem (CID 163024471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).