3,3-diethyl-2-methylpentane;ethane

C12H28 — CID 163394660

IUPAC3,3-diethyl-2-methylpentane;ethane
SMILESCC.CCC(CC)(CC)C(C)C
InChIInChI=1S/C10H22.C2H6/c1-6-10(7-2,8-3)9(4)5;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyDLGWRUKUVRRVPY-UHFFFAOYSA-N
MW172.36 g/mol
LogP4.89
Rot. Bonds4

About 3,3-diethyl-2-methylpentane;ethane

3,3-diethyl-2-methylpentane;ethane (PubChem CID 163394660) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is 3,3-diethyl-2-methylpentane;ethane.

Molecular Properties

Compound Name3,3-diethyl-2-methylpentane;ethane
PubChem CID163394660
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Name3,3-diethyl-2-methylpentane;ethane
SMILESCC.CCC(CC)(CC)C(C)C
InChIInChI=1S/C10H22.C2H6/c1-6-10(7-2,8-3)9(4)5;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyDLGWRUKUVRRVPY-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
4,4-diethyl-5-methylhex-1-ene
CID 23384984
3,3-diethyl-2-methyldodecane
CID 151072312
5-ethyl-5-propan-2-yltetradecane
CID 123207557
2-methylpentane-3,3-diol
CID 87103548
ethane;2-methylpropane;propane
CID 144940074
ethane;hexane;2,3,3-trimethylpentane
CID 143714855
ethane;2-ethyl-3-methylbutane-1,2-diol
CID 143778282
2-ethyl-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87645352
4,4-diethyl-3-methylheptane
CID 53425832
1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine
CID 134568282

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-methylpentane;ethane?
The IUPAC name of 3,3-diethyl-2-methylpentane;ethane (CID 163394660) is 3,3-diethyl-2-methylpentane;ethane.
What is the SMILES notation for 3,3-diethyl-2-methylpentane;ethane?
The canonical SMILES for 3,3-diethyl-2-methylpentane;ethane is CC.CCC(CC)(CC)C(C)C.
What is the InChIKey of 3,3-diethyl-2-methylpentane;ethane?
The InChIKey is DLGWRUKUVRRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C2H6/c1-6-10(7-2,8-3)9(4)5;1-2/h9H,6-8H2,1-5H3;1-2H3.
What are the key properties of 3,3-diethyl-2-methylpentane;ethane?
3,3-diethyl-2-methylpentane;ethane has a molecular weight of 172.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-methylpentane;ethane is sourced from PubChem (CID 163394660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).