3,5,8-triethyl-9-propylspiro[3.5]nonane

C18H34 — CID 90799793

IUPAC3,5,8-triethyl-9-propylspiro[3.5]nonane
SMILESCCCC1C(CC)CCC(CC)C12CCC2CC
InChIInChI=1S/C18H34/c1-5-9-17-14(6-2)10-11-15(7-3)18(17)13-12-16(18)8-4/h14-17H,5-13H2,1-4H3
InChIKeyRNNPIVVCUGMUEZ-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds5

About 3,5,8-triethyl-9-propylspiro[3.5]nonane

3,5,8-triethyl-9-propylspiro[3.5]nonane (PubChem CID 90799793) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 3,5,8-triethyl-9-propylspiro[3.5]nonane.

Molecular Properties

Compound Name3,5,8-triethyl-9-propylspiro[3.5]nonane
PubChem CID90799793
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name3,5,8-triethyl-9-propylspiro[3.5]nonane
SMILESCCCC1C(CC)CCC(CC)C12CCC2CC
InChIInChI=1S/C18H34/c1-5-9-17-14(6-2)10-11-15(7-3)18(17)13-12-16(18)8-4/h14-17H,5-13H2,1-4H3
InChIKeyRNNPIVVCUGMUEZ-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
cis-Pinane
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(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
(1R,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 11051725
Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-
CID 12314300
1,3,5-Trimethyl-2-octadecylcyclohexane
CID 41379
1-Isopropyl-1,4,5-trimethylcyclohexane
CID 252330
1,1,3,4-Tetramethylcyclohexane
CID 15102861
1,4-Dimethyl-3-n-octadecylcyclohexane
CID 282770
1,2-Dimethyl-3-pentyl-4-propylcyclohexane
CID 566238

Frequently Asked Questions

What is the IUPAC name of 3,5,8-triethyl-9-propylspiro[3.5]nonane?
The IUPAC name of 3,5,8-triethyl-9-propylspiro[3.5]nonane (CID 90799793) is 3,5,8-triethyl-9-propylspiro[3.5]nonane.
What is the SMILES notation for 3,5,8-triethyl-9-propylspiro[3.5]nonane?
The canonical SMILES for 3,5,8-triethyl-9-propylspiro[3.5]nonane is CCCC1C(CC)CCC(CC)C12CCC2CC.
What is the InChIKey of 3,5,8-triethyl-9-propylspiro[3.5]nonane?
The InChIKey is RNNPIVVCUGMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-5-9-17-14(6-2)10-11-15(7-3)18(17)13-12-16(18)8-4/h14-17H,5-13H2,1-4H3.
What are the key properties of 3,5,8-triethyl-9-propylspiro[3.5]nonane?
3,5,8-triethyl-9-propylspiro[3.5]nonane has a molecular weight of 250.47 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-triethyl-9-propylspiro[3.5]nonane is sourced from PubChem (CID 90799793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).