3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene

C16H26 — CID 20700134

IUPAC3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene
SMILESCCCC1CC(C)C2CC3CC=CCC3C12
InChIInChI=1S/C16H26/c1-3-6-13-9-11(2)15-10-12-7-4-5-8-14(12)16(13)15/h4-5,11-16H,3,6-10H2,1-2H3
InChIKeyUXLDINSBWGVWDT-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.66
Rot. Bonds2

About 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene

3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene (PubChem CID 20700134) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene.

Molecular Properties

Compound Name3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene
PubChem CID20700134
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene
SMILESCCCC1CC(C)C2CC3CC=CCC3C12
InChIInChI=1S/C16H26/c1-3-6-13-9-11(2)15-10-12-7-4-5-8-14(12)16(13)15/h4-5,11-16H,3,6-10H2,1-2H3
InChIKeyUXLDINSBWGVWDT-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene?
The IUPAC name of 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene (CID 20700134) is 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene.
What is the SMILES notation for 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene?
The canonical SMILES for 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene is CCCC1CC(C)C2CC3CC=CCC3C12.
What is the InChIKey of 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene?
The InChIKey is UXLDINSBWGVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-6-13-9-11(2)15-10-12-7-4-5-8-14(12)16(13)15/h4-5,11-16H,3,6-10H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene?
3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene has a molecular weight of 218.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene is sourced from PubChem (CID 20700134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).