4-propan-2-yloxy-2-propoxyoctane

C14H30O2 — CID 173285502

IUPAC4-propan-2-yloxy-2-propoxyoctane
SMILESCCCCC(CC(C)OCCC)OC(C)C
InChIInChI=1S/C14H30O2/c1-6-8-9-14(16-12(3)4)11-13(5)15-10-7-2/h12-14H,6-11H2,1-5H3
InChIKeyLFVJFDRTMRVNRF-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.18
Rot. Bonds10

About 4-propan-2-yloxy-2-propoxyoctane

4-propan-2-yloxy-2-propoxyoctane (PubChem CID 173285502) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-propoxyoctane.

Molecular Properties

Compound Name4-propan-2-yloxy-2-propoxyoctane
PubChem CID173285502
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name4-propan-2-yloxy-2-propoxyoctane
SMILESCCCCC(CC(C)OCCC)OC(C)C
InChIInChI=1S/C14H30O2/c1-6-8-9-14(16-12(3)4)11-13(5)15-10-7-2/h12-14H,6-11H2,1-5H3
InChIKeyLFVJFDRTMRVNRF-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yloxy-2-propoxyoctane 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

1,2-di(propan-2-yloxy)hexane
CID 71465189
3-propoxyheptane
CID 91289422
2-butoxyhexane;ethane
CID 144590910
1-hexan-2-yloxydecane
CID 57029724
3-propan-2-yloxyheptanal
CID 90280852
2-propoxy-1-(2-propoxyethoxy)hexane
CID 91395495
1-butoxy-4-methyl-2-propan-2-yloxypentane
CID 138514678
N-methyl-4-propoxypentan-2-amine
CID 64721571
1-(4-methylpentan-2-yloxy)dodecane
CID 15431041
5-ethyl-7-(7-ethylundecan-5-yloxy)undecane
CID 57166671
(4R)-4-propoxypentan-1-ol
CID 54320299
5-ethoxynonane
CID 91187482

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-propoxyoctane?
The IUPAC name of 4-propan-2-yloxy-2-propoxyoctane (CID 173285502) is 4-propan-2-yloxy-2-propoxyoctane.
What is the SMILES notation for 4-propan-2-yloxy-2-propoxyoctane?
The canonical SMILES for 4-propan-2-yloxy-2-propoxyoctane is CCCCC(CC(C)OCCC)OC(C)C.
What is the InChIKey of 4-propan-2-yloxy-2-propoxyoctane?
The InChIKey is LFVJFDRTMRVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-6-8-9-14(16-12(3)4)11-13(5)15-10-7-2/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-propan-2-yloxy-2-propoxyoctane?
4-propan-2-yloxy-2-propoxyoctane has a molecular weight of 230.39 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-propoxyoctane is sourced from PubChem (CID 173285502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).