1,3-dimethoxy-2,2,4-trimethylpentane

C10H22O2 — CID 23436691

IUPAC1,3-dimethoxy-2,2,4-trimethylpentane
SMILESCOCC(C)(C)C(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-8(2)9(12-6)10(3,4)7-11-5/h8-9H,7H2,1-6H3
InChIKeyGHRHEZKWNJRYHY-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.33
Rot. Bonds5

About 1,3-dimethoxy-2,2,4-trimethylpentane

1,3-dimethoxy-2,2,4-trimethylpentane (PubChem CID 23436691) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1,3-dimethoxy-2,2,4-trimethylpentane.

Molecular Properties

Compound Name1,3-dimethoxy-2,2,4-trimethylpentane
PubChem CID23436691
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1,3-dimethoxy-2,2,4-trimethylpentane
SMILESCOCC(C)(C)C(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-8(2)9(12-6)10(3,4)7-11-5/h8-9H,7H2,1-6H3
InChIKeyGHRHEZKWNJRYHY-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trimethyl-1,3-pentanediol
CID 8946
(3s)-2,2,4-Trimethyl-1,3-pentanediol
CID 6950329
(2R,3S)-2,4,4-trimethylpentane-1,3-diol
CID 13272621
1,1,3,3-Tetramethyl-2,4-di(propan-2-yloxy)cyclobutane
CID 129155567
2,4,4-Trimethylpentane-1,3-diol
CID 4465961
2-(Hydroxymethyl)-4,4-dimethylpentane-1,3-diol
CID 12930545
1-Ethoxy-2,2,4-trimethylpentan-3-ol
CID 21896531
2,4-Dimethyl-1-propan-2-yloxy-2-(2,2,2-trifluoroethoxymethyl)pentane
CID 144519269
1,3,2-Dioxathiane, 5,5-dimethyl-4-(1-methylethyl)-, 2-oxide
CID 13668585
3-Ethyl-3-(1-methoxy-2-methylpropyl)oxetane
CID 174519159
(2S,3S)-2,4,4-trimethylpentane-1,3-diol
CID 11367073
(2R,3R)-2,4,4-trimethylpentane-1,3-diol
CID 13272622

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2,2,4-trimethylpentane?
The IUPAC name of 1,3-dimethoxy-2,2,4-trimethylpentane (CID 23436691) is 1,3-dimethoxy-2,2,4-trimethylpentane.
What is the SMILES notation for 1,3-dimethoxy-2,2,4-trimethylpentane?
The canonical SMILES for 1,3-dimethoxy-2,2,4-trimethylpentane is COCC(C)(C)C(OC)C(C)C.
What is the InChIKey of 1,3-dimethoxy-2,2,4-trimethylpentane?
The InChIKey is GHRHEZKWNJRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-8(2)9(12-6)10(3,4)7-11-5/h8-9H,7H2,1-6H3.
What are the key properties of 1,3-dimethoxy-2,2,4-trimethylpentane?
1,3-dimethoxy-2,2,4-trimethylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2,2,4-trimethylpentane is sourced from PubChem (CID 23436691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).