1,3-dimethoxypropane;2,3,3,5-tetramethylhexane

C15H34O2 — CID 175249202

IUPAC1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
SMILESCC(C)CC(C)(C)C(C)C.COCCCOC
InChIInChI=1S/C10H22.C5H12O2/c1-8(2)7-10(5,6)9(3)4;1-6-4-3-5-7-2/h8-9H,7H2,1-6H3;3-5H2,1-2H3
InChIKeyGSOSFXJPTVOWHW-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.38
Rot. Bonds7

About 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane

1,3-dimethoxypropane;2,3,3,5-tetramethylhexane (PubChem CID 175249202) has the molecular formula C15H34O2 and a molecular weight of 246.43 g/mol. Its IUPAC name is 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane.

Molecular Properties

Compound Name1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
PubChem CID175249202
Molecular FormulaC15H34O2
Molecular Weight246.43 g/mol
Exact Mass246.26
IUPAC Name1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
SMILESCC(C)CC(C)(C)C(C)C.COCCCOC
InChIInChI=1S/C10H22.C5H12O2/c1-8(2)7-10(5,6)9(3)4;1-6-4-3-5-7-2/h8-9H,7H2,1-6H3;3-5H2,1-2H3
InChIKeyGSOSFXJPTVOWHW-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane 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

N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
2-(3-methoxypropoxy)-2-methylpropane
CID 13445097
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867556
2,3,3,5,7-pentamethyloctane
CID 57491096
2-amino-4-(3-methoxypropoxy)-2-methylpentan-1-ol
CID 64810813
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2,4,4,5,6-pentamethyloctane
CID 57491109
O-(3,3,5-trimethylhexan-2-yl)hydroxylamine
CID 59956878
2,2,3,4,4,6-hexamethylheptane
CID 57491289
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane?
The IUPAC name of 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane (CID 175249202) is 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane.
What is the SMILES notation for 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane?
The canonical SMILES for 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane is CC(C)CC(C)(C)C(C)C.COCCCOC.
What is the InChIKey of 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane?
The InChIKey is GSOSFXJPTVOWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C5H12O2/c1-8(2)7-10(5,6)9(3)4;1-6-4-3-5-7-2/h8-9H,7H2,1-6H3;3-5H2,1-2H3.
What are the key properties of 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane?
1,3-dimethoxypropane;2,3,3,5-tetramethylhexane has a molecular weight of 246.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropane;2,3,3,5-tetramethylhexane is sourced from PubChem (CID 175249202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).