3-ethyl-4-methylspiro[5.5]undecane

C14H26 — CID 177192246

IUPAC3-ethyl-4-methylspiro[5.5]undecane
SMILESCCC1CCC2(CCCCC2)CC1C
InChIInChI=1S/C14H26/c1-3-13-7-10-14(11-12(13)2)8-5-4-6-9-14/h12-13H,3-11H2,1-2H3
InChIKeyNPHBUFVKFWXWDP-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.78
Rot. Bonds1

About 3-ethyl-4-methylspiro[5.5]undecane

3-ethyl-4-methylspiro[5.5]undecane (PubChem CID 177192246) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-ethyl-4-methylspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-methylspiro[5.5]undecane
PubChem CID177192246
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-ethyl-4-methylspiro[5.5]undecane
SMILESCCC1CCC2(CCCCC2)CC1C
InChIInChI=1S/C14H26/c1-3-13-7-10-14(11-12(13)2)8-5-4-6-9-14/h12-13H,3-11H2,1-2H3
InChIKeyNPHBUFVKFWXWDP-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butyl-4-methylspiro[5.6]dodecane
CID 158157061
(3R)-3-methylspiro[4.5]decane
CID 140778087
(2S,3S)-2,3-dimethylspiro[4.4]nonane
CID 58622704
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
ethane;3-methylspiro[4.4]nonane
CID 168995417
3-propylspiro[5.6]dodecane
CID 163613469
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
3-methylspiro[5.6]dodecane
CID 143797283
7,8-diethyl-1,1-dimethylcyclotridecane
CID 123809995
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-methylspiro[5.5]undecane (CID 177192246) is 3-ethyl-4-methylspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-methylspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-methylspiro[5.5]undecane is CCC1CCC2(CCCCC2)CC1C.
What is the InChIKey of 3-ethyl-4-methylspiro[5.5]undecane?
The InChIKey is NPHBUFVKFWXWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-13-7-10-14(11-12(13)2)8-5-4-6-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-4-methylspiro[5.5]undecane?
3-ethyl-4-methylspiro[5.5]undecane has a molecular weight of 194.36 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylspiro[5.5]undecane is sourced from PubChem (CID 177192246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).