4,4-diethyl-3-methylheptane

C12H26 — CID 53425832

IUPAC4,4-diethyl-3-methylheptane
SMILESCCCC(CC)(CC)C(C)CC
InChIInChI=1S/C12H26/c1-6-10-12(8-3,9-4)11(5)7-2/h11H,6-10H2,1-5H3
InChIKeyWSBKWCXGZHVUHW-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds6

About 4,4-diethyl-3-methylheptane

4,4-diethyl-3-methylheptane (PubChem CID 53425832) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 4,4-diethyl-3-methylheptane.

Molecular Properties

Compound Name4,4-diethyl-3-methylheptane
PubChem CID53425832
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name4,4-diethyl-3-methylheptane
SMILESCCCC(CC)(CC)C(C)CC
InChIInChI=1S/C12H26/c1-6-10-12(8-3,9-4)11(5)7-2/h11H,6-10H2,1-5H3
InChIKeyWSBKWCXGZHVUHW-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dipropylhexan-2-amine
CID 126618281
3-ethyl-3-iodo-4-methylhexane
CID 87966259
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459
2,4-dimethyl-3-propylhexane-2,3-diol
CID 69305500
4-butan-2-yl-3-methyl-4-propylnonane
CID 123540962
1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine
CID 170018068
4,4-diethylnonan-5-ylphosphane
CID 87508109
3,3-diethyl-2-methylpentane;ethane
CID 163394660
5-ethyl-3-methyl-5-propyloctane
CID 57492740
3,3-diethyl-2-methyldodecane
CID 151072312
ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
CID 143713458
3-fluoro-3,4-dimethylhexane
CID 153400772

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3-methylheptane?
The IUPAC name of 4,4-diethyl-3-methylheptane (CID 53425832) is 4,4-diethyl-3-methylheptane.
What is the SMILES notation for 4,4-diethyl-3-methylheptane?
The canonical SMILES for 4,4-diethyl-3-methylheptane is CCCC(CC)(CC)C(C)CC.
What is the InChIKey of 4,4-diethyl-3-methylheptane?
The InChIKey is WSBKWCXGZHVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-6-10-12(8-3,9-4)11(5)7-2/h11H,6-10H2,1-5H3.
What are the key properties of 4,4-diethyl-3-methylheptane?
4,4-diethyl-3-methylheptane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-3-methylheptane is sourced from PubChem (CID 53425832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).