3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene

C19H28 — CID 142732663

IUPAC3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene
SMILESCCCCCC1c2cc3c(cc21)C(C)(C)CC3(C)C
InChIInChI=1S/C19H28/c1-6-7-8-9-13-14-10-16-17(11-15(13)14)19(4,5)12-18(16,2)3/h10-11,13H,6-9,12H2,1-5H3
InChIKeyZMSISKWSLGFQTI-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.67
Rot. Bonds4

About 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene

3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene (PubChem CID 142732663) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene
PubChem CID142732663
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene
SMILESCCCCCC1c2cc3c(cc21)C(C)(C)CC3(C)C
InChIInChI=1S/C19H28/c1-6-7-8-9-13-14-10-16-17(11-15(13)14)19(4,5)12-18(16,2)3/h10-11,13H,6-9,12H2,1-5H3
InChIKeyZMSISKWSLGFQTI-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.67
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

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CID 22568532
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CID 11018354
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CID 139056102
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CID 11182400
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CID 101112612
25,29,33,37-tetra(undecyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene-6,12,18,39-tetrathiol
CID 102183352
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CID 66850655
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CID 143916769
9-hexyl-3,6-dimethoxy-9H-xanthene
CID 71740306
7-hexacosyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 175711728
hexane;pentylcyclopropane
CID 159592467
6-bromo-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11(32),12,17(28),18,23(39),24(40),26,30,35-dodecaene
CID 10975008

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene?
The IUPAC name of 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene (CID 142732663) is 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene?
The canonical SMILES for 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene is CCCCCC1c2cc3c(cc21)C(C)(C)CC3(C)C.
What is the InChIKey of 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene?
The InChIKey is ZMSISKWSLGFQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-6-7-8-9-13-14-10-16-17(11-15(13)14)19(4,5)12-18(16,2)3/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene?
3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene has a molecular weight of 256.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-pentyl-1,4-dihydrocyclopropa[f]indene is sourced from PubChem (CID 142732663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).