4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]

C19H28 — CID 140642350

IUPAC4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]
SMILESCC(C)c1ccc(C(C)C)c2c1CC1(CCCC1)C2
InChIInChI=1S/C19H28/c1-13(2)15-7-8-16(14(3)4)18-12-19(11-17(15)18)9-5-6-10-19/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyGMMSCCSPEQQVCM-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.59
Rot. Bonds2

About 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]

4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane] (PubChem CID 140642350) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane].

Molecular Properties

Compound Name4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]
PubChem CID140642350
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]
SMILESCC(C)c1ccc(C(C)C)c2c1CC1(CCCC1)C2
InChIInChI=1S/C19H28/c1-13(2)15-7-8-16(14(3)4)18-12-19(11-17(15)18)9-5-6-10-19/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyGMMSCCSPEQQVCM-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-1-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,1'-cyclopentane]
CID 144634359
ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144672016
ethane;7-methylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-ol
CID 144506413
2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
CID 117408731
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
N-methyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 144873896
1,3-diethylspiro[4,6-dihydro-2H-cyclopenta[c]pyrrole-5,1'-cyclohexane]
CID 144633789
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
1-spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-ylethanone
CID 144506511
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
CID 139772831
2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
CID 123856255

Frequently Asked Questions

What is the IUPAC name of 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]?
The IUPAC name of 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane] (CID 140642350) is 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane].
What is the SMILES notation for 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]?
The canonical SMILES for 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane] is CC(C)c1ccc(C(C)C)c2c1CC1(CCCC1)C2.
What is the InChIKey of 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]?
The InChIKey is GMMSCCSPEQQVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-13(2)15-7-8-16(14(3)4)18-12-19(11-17(15)18)9-5-6-10-19/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]?
4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane] has a molecular weight of 256.43 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane] is sourced from PubChem (CID 140642350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).