ethane;4-ethyl-2,3-dimethylheptane

C13H30 — CID 142330758

IUPACethane;4-ethyl-2,3-dimethylheptane
SMILESCC.CCCC(CC)C(C)C(C)C
InChIInChI=1S/C11H24.C2H6/c1-6-8-11(7-2)10(5)9(3)4;1-2/h9-11H,6-8H2,1-5H3;1-2H3
InChIKeyPDWLLKIJTCTSPD-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.13
Rot. Bonds5

About ethane;4-ethyl-2,3-dimethylheptane

ethane;4-ethyl-2,3-dimethylheptane (PubChem CID 142330758) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;4-ethyl-2,3-dimethylheptane.

Molecular Properties

Compound Nameethane;4-ethyl-2,3-dimethylheptane
PubChem CID142330758
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;4-ethyl-2,3-dimethylheptane
SMILESCC.CCCC(CC)C(C)C(C)C
InChIInChI=1S/C11H24.C2H6/c1-6-8-11(7-2)10(5)9(3)4;1-2/h9-11H,6-8H2,1-5H3;1-2H3
InChIKeyPDWLLKIJTCTSPD-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-ethyl-2-methylhexane
CID 59954424
3,4-diethylheptane;ethane
CID 144734225
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
4,5-diethyloctane
CID 519254
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
4-ethyl-2,3,9-trimethylhexadecane
CID 123304219
4-ethyl-2-methylheptane-3-thiol
CID 123793265
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
CID 123283653
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
5-ethyl-2,3,4-trimethylheptane
CID 53428868

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2,3-dimethylheptane?
The IUPAC name of ethane;4-ethyl-2,3-dimethylheptane (CID 142330758) is ethane;4-ethyl-2,3-dimethylheptane.
What is the SMILES notation for ethane;4-ethyl-2,3-dimethylheptane?
The canonical SMILES for ethane;4-ethyl-2,3-dimethylheptane is CC.CCCC(CC)C(C)C(C)C.
What is the InChIKey of ethane;4-ethyl-2,3-dimethylheptane?
The InChIKey is PDWLLKIJTCTSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C2H6/c1-6-8-11(7-2)10(5)9(3)4;1-2/h9-11H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;4-ethyl-2,3-dimethylheptane?
ethane;4-ethyl-2,3-dimethylheptane has a molecular weight of 186.38 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2,3-dimethylheptane is sourced from PubChem (CID 142330758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).