3-ethyl-3-methoxy-4-propylheptane

C13H28O — CID 144783113

IUPAC3-ethyl-3-methoxy-4-propylheptane
SMILESCCCC(CCC)C(CC)(CC)OC
InChIInChI=1S/C13H28O/c1-6-10-12(11-7-2)13(8-3,9-4)14-5/h12H,6-11H2,1-5H3
InChIKeyNLXLYVZDDOUCDT-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.41
Rot. Bonds8

About 3-ethyl-3-methoxy-4-propylheptane

3-ethyl-3-methoxy-4-propylheptane (PubChem CID 144783113) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-4-propylheptane.

Molecular Properties

Compound Name3-ethyl-3-methoxy-4-propylheptane
PubChem CID144783113
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3-ethyl-3-methoxy-4-propylheptane
SMILESCCCC(CCC)C(CC)(CC)OC
InChIInChI=1S/C13H28O/c1-6-10-12(11-7-2)13(8-3,9-4)14-5/h12H,6-11H2,1-5H3
InChIKeyNLXLYVZDDOUCDT-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-3-methoxy-2-methylpentane
CID 23384914
4-tert-butyl-2-methoxy-2-methylheptane
CID 138550315
4,4-dimethoxy-5-propyltridecane
CID 151317508
(3-ethyl-3-methoxytetradecan-4-yl)hydrazine
CID 105275563
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
CID 87644352
CID 87644352
4-ethylheptane-3,3-diamine
CID 87457758
3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116761328
N,3-diethyl-3-methoxytridecan-4-amine
CID 116761089
4-(2-fluoropropan-2-yl)heptane
CID 143311381
3,3-dimethyl-4-propyloctane
CID 57491237
5-(1,1-dimethoxyethyl)nonane
CID 139962185

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-4-propylheptane?
The IUPAC name of 3-ethyl-3-methoxy-4-propylheptane (CID 144783113) is 3-ethyl-3-methoxy-4-propylheptane.
What is the SMILES notation for 3-ethyl-3-methoxy-4-propylheptane?
The canonical SMILES for 3-ethyl-3-methoxy-4-propylheptane is CCCC(CCC)C(CC)(CC)OC.
What is the InChIKey of 3-ethyl-3-methoxy-4-propylheptane?
The InChIKey is NLXLYVZDDOUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-6-10-12(11-7-2)13(8-3,9-4)14-5/h12H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-3-methoxy-4-propylheptane?
3-ethyl-3-methoxy-4-propylheptane has a molecular weight of 200.37 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-4-propylheptane is sourced from PubChem (CID 144783113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).