3a,4,5,6-tetrapropyl-1,7a-dihydroindene

C21H34 — CID 102576699

IUPAC3a,4,5,6-tetrapropyl-1,7a-dihydroindene
SMILESCCCC1=CC2CC=CC2(CCC)C(CCC)=C1CCC
InChIInChI=1S/C21H34/c1-5-10-17-16-18-13-9-15-21(18,14-8-4)20(12-7-3)19(17)11-6-2/h9,15-16,18H,5-8,10-14H2,1-4H3
InChIKeyCSAPNWZVGLRBJD-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.99
Rot. Bonds8

About 3a,4,5,6-tetrapropyl-1,7a-dihydroindene

3a,4,5,6-tetrapropyl-1,7a-dihydroindene (PubChem CID 102576699) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 3a,4,5,6-tetrapropyl-1,7a-dihydroindene.

Molecular Properties

Compound Name3a,4,5,6-tetrapropyl-1,7a-dihydroindene
PubChem CID102576699
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name3a,4,5,6-tetrapropyl-1,7a-dihydroindene
SMILESCCCC1=CC2CC=CC2(CCC)C(CCC)=C1CCC
InChIInChI=1S/C21H34/c1-5-10-17-16-18-13-9-15-21(18,14-8-4)20(12-7-3)19(17)11-6-2/h9,15-16,18H,5-8,10-14H2,1-4H3
InChIKeyCSAPNWZVGLRBJD-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(1,2,3,4,5-pentapropylcyclopenta-2,4-dien-1-yl)silane
CID 156896873
(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine
CID 126663011
6-pentyl-2-propylcyclohexa-1,3-diene
CID 144896807
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
CID 67330757
N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine
CID 102321768
5-cyclopenta-2,4-dien-1-yl-1,2,4,5-tetrapropyl-3-(1,2,3-tripropylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
CID 141122196
6,6-dipropylcyclohex-3-en-1-ol
CID 101312190
(2-dimethylsilyloxy-3,4-dipropylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 123161425
1,2-dipropylcyclohex-3-en-1-ol
CID 101312173
3,3-dichloro-1,2-dipropylcyclopropene
CID 134877644
(1-methyl-5-propylpyrrol-2-yl)methanol
CID 100793005
3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine
CID 10823806

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6-tetrapropyl-1,7a-dihydroindene?
The IUPAC name of 3a,4,5,6-tetrapropyl-1,7a-dihydroindene (CID 102576699) is 3a,4,5,6-tetrapropyl-1,7a-dihydroindene.
What is the SMILES notation for 3a,4,5,6-tetrapropyl-1,7a-dihydroindene?
The canonical SMILES for 3a,4,5,6-tetrapropyl-1,7a-dihydroindene is CCCC1=CC2CC=CC2(CCC)C(CCC)=C1CCC.
What is the InChIKey of 3a,4,5,6-tetrapropyl-1,7a-dihydroindene?
The InChIKey is CSAPNWZVGLRBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-5-10-17-16-18-13-9-15-21(18,14-8-4)20(12-7-3)19(17)11-6-2/h9,15-16,18H,5-8,10-14H2,1-4H3.
What are the key properties of 3a,4,5,6-tetrapropyl-1,7a-dihydroindene?
3a,4,5,6-tetrapropyl-1,7a-dihydroindene has a molecular weight of 286.50 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6-tetrapropyl-1,7a-dihydroindene is sourced from PubChem (CID 102576699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).