11-pentyl-3-propyldispiro[5.1.58.16]tetradecane

C22H40 — CID 18633801

IUPAC11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
SMILESCCCCCC1CCC2(CC1)CC1(CCC(CCC)CC1)C2
InChIInChI=1S/C22H40/c1-3-5-6-8-20-11-15-22(16-12-20)17-21(18-22)13-9-19(7-4-2)10-14-21/h19-20H,3-18H2,1-2H3
InChIKeyCWUZQHFJUCXBGZ-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.51
Rot. Bonds6

About 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane

11-pentyl-3-propyldispiro[5.1.58.16]tetradecane (PubChem CID 18633801) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
PubChem CID18633801
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
SMILESCCCCCC1CCC2(CC1)CC1(CCC(CCC)CC1)C2
InChIInChI=1S/C22H40/c1-3-5-6-8-20-11-15-22(16-12-20)17-21(18-22)13-9-19(7-4-2)10-14-21/h19-20H,3-18H2,1-2H3
InChIKeyCWUZQHFJUCXBGZ-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
CID 18633775
3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 161382402
3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633672
hexane;pentylcyclopropane
CID 159592467
7-propylspiro[3.5]nonane
CID 144910869
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
3-propylspiro[5.6]dodecane
CID 163613469

Frequently Asked Questions

What is the IUPAC name of 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane?
The IUPAC name of 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane (CID 18633801) is 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane?
The canonical SMILES for 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane is CCCCCC1CCC2(CC1)CC1(CCC(CCC)CC1)C2.
What is the InChIKey of 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane?
The InChIKey is CWUZQHFJUCXBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-3-5-6-8-20-11-15-22(16-12-20)17-21(18-22)13-9-19(7-4-2)10-14-21/h19-20H,3-18H2,1-2H3.
What are the key properties of 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane?
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane has a molecular weight of 304.56 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pentyl-3-propyldispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).