ethane;(3S)-3-propylspiro[4.4]nonane

C14H28 — CID 177054830

IUPACethane;(3S)-3-propylspiro[4.4]nonane
SMILESCC.CCC[C@H]1CCC2(CCCC2)C1
InChIInChI=1S/C12H22.C2H6/c1-2-5-11-6-9-12(10-11)7-3-4-8-12;1-2/h11H,2-10H2,1H3;1-2H3/t11-;/m0./s1
InChIKeyQCCJGHUUDTVBBG-MERQFXBCSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds2

About ethane;(3S)-3-propylspiro[4.4]nonane

ethane;(3S)-3-propylspiro[4.4]nonane (PubChem CID 177054830) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;(3S)-3-propylspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;(3S)-3-propylspiro[4.4]nonane
PubChem CID177054830
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;(3S)-3-propylspiro[4.4]nonane
SMILESCC.CCC[C@H]1CCC2(CCCC2)C1
InChIInChI=1S/C12H22.C2H6/c1-2-5-11-6-9-12(10-11)7-3-4-8-12;1-2/h11H,2-10H2,1H3;1-2H3/t11-;/m0./s1
InChIKeyQCCJGHUUDTVBBG-MERQFXBCSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-propylspiro[5.6]dodecane
CID 163613469
7-propylspiro[3.5]nonane
CID 144910869
3-propyl-8-azaspiro[4.5]decane
CID 177021329
6-propyl-2-azaspiro[3.5]nonane
CID 170593809
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
3-propylcyclohexane-1,1-diamine
CID 141388820
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
N-methyl-1-spiro[3.4]octan-7-ylmethanamine
CID 170362229
ethane;3-methylspiro[4.4]nonane
CID 168995417
3-ethyl-4-methylspiro[5.5]undecane
CID 177192246
3-spiro[4.6]undecan-10-ylpropane-1-thiol
CID 146553985

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-propylspiro[4.4]nonane?
The IUPAC name of ethane;(3S)-3-propylspiro[4.4]nonane (CID 177054830) is ethane;(3S)-3-propylspiro[4.4]nonane.
What is the SMILES notation for ethane;(3S)-3-propylspiro[4.4]nonane?
The canonical SMILES for ethane;(3S)-3-propylspiro[4.4]nonane is CC.CCC[C@H]1CCC2(CCCC2)C1.
What is the InChIKey of ethane;(3S)-3-propylspiro[4.4]nonane?
The InChIKey is QCCJGHUUDTVBBG-MERQFXBCSA-N. The full InChI is InChI=1S/C12H22.C2H6/c1-2-5-11-6-9-12(10-11)7-3-4-8-12;1-2/h11H,2-10H2,1H3;1-2H3/t11-;/m0./s1.
What are the key properties of ethane;(3S)-3-propylspiro[4.4]nonane?
ethane;(3S)-3-propylspiro[4.4]nonane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-propylspiro[4.4]nonane is sourced from PubChem (CID 177054830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).