2,2-dipropoxyoctane

C14H30O2 — CID 89440090

IUPAC2,2-dipropoxyoctane
SMILESCCCCCCC(C)(OCCC)OCCC
InChIInChI=1S/C14H30O2/c1-5-8-9-10-11-14(4,15-12-6-2)16-13-7-3/h5-13H2,1-4H3
InChIKeyTZARCZZGNHPTFP-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.53
Rot. Bonds11

About 2,2-dipropoxyoctane

2,2-dipropoxyoctane (PubChem CID 89440090) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2,2-dipropoxyoctane.

Molecular Properties

Compound Name2,2-dipropoxyoctane
PubChem CID89440090
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2,2-dipropoxyoctane
SMILESCCCCCCC(C)(OCCC)OCCC
InChIInChI=1S/C14H30O2/c1-5-8-9-10-11-14(4,15-12-6-2)16-13-7-3/h5-13H2,1-4H3
InChIKeyTZARCZZGNHPTFP-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dipropoxyoctane 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

2,2-diethoxynonane
CID 89439020
10,10-dipropoxyicosane
CID 150666261
6,6-dipropoxydodecane
CID 89440027
2-dodecoxy-2-methyltetradecane
CID 158074564
9-heptoxy-9-methylhenicosane
CID 91127088
2,2-dimethoxyundecane;1-propoxybut-1-ene
CID 158397642
13,13-diethoxytetradecyl-dimethyl-octadecylazanium chloride
CID 172836062
2-methyl-2-propoxyhexane
CID 91043348
2-ethoxy-2-methylundecane
CID 150956805
2-methyloctane-1,2-diamine
CID 43519506
10-decoxy-10-nonylnonadecane
CID 150430521
16,16,21,21-tetramethylhexatriacontane
CID 174880889

Frequently Asked Questions

What is the IUPAC name of 2,2-dipropoxyoctane?
The IUPAC name of 2,2-dipropoxyoctane (CID 89440090) is 2,2-dipropoxyoctane.
What is the SMILES notation for 2,2-dipropoxyoctane?
The canonical SMILES for 2,2-dipropoxyoctane is CCCCCCC(C)(OCCC)OCCC.
What is the InChIKey of 2,2-dipropoxyoctane?
The InChIKey is TZARCZZGNHPTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-8-9-10-11-14(4,15-12-6-2)16-13-7-3/h5-13H2,1-4H3.
What are the key properties of 2,2-dipropoxyoctane?
2,2-dipropoxyoctane has a molecular weight of 230.39 g/mol, XLogP of 4.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropoxyoctane is sourced from PubChem (CID 89440090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).