3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene

C35H58 — CID 144692126

IUPAC3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene
SMILESCC.CC.CCCC1(CCC)CCc2ccc(C)cc21.CCCC1(CCC)CCc2ccccc21
InChIInChI=1S/C16H24.C15H22.2C2H6/c1-4-9-16(10-5-2)11-8-14-7-6-13(3)12-15(14)16;1-3-10-15(11-4-2)12-9-13-7-5-6-8-14(13)15;2*1-2/h6-7,12H,4-5,8-11H2,1-3H3;5-8H,3-4,9-12H2,1-2H3;2*1-2H3
InChIKeyDQNWXFHGLHUEOT-UHFFFAOYSA-N
MW478.85 g/mol
LogP11.30
Rot. Bonds8

About 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene

3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene (PubChem CID 144692126) has the molecular formula C35H58 and a molecular weight of 478.85 g/mol. Its IUPAC name is 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene.

Molecular Properties

Compound Name3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene
PubChem CID144692126
Molecular FormulaC35H58
Molecular Weight478.85 g/mol
Exact Mass478.45
IUPAC Name3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene
SMILESCC.CC.CCCC1(CCC)CCc2ccc(C)cc21.CCCC1(CCC)CCc2ccccc21
InChIInChI=1S/C16H24.C15H22.2C2H6/c1-4-9-16(10-5-2)11-8-14-7-6-13(3)12-15(14)16;1-3-10-15(11-4-2)12-9-13-7-5-6-8-14(13)15;2*1-2/h6-7,12H,4-5,8-11H2,1-3H3;5-8H,3-4,9-12H2,1-2H3;2*1-2H3
InChIKeyDQNWXFHGLHUEOT-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
3-butyl-3,5-dimethyl-1,2-dihydroindene
CID 59994805
2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine
CID 142113085
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
6-methyl-1-(2-propoxyphenyl)-2,3-dihydroinden-1-ol
CID 104658916
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
2,9-dimethyl-9-propylfluorene
CID 58051803
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine
CID 106734067
N,N-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 70072861

Frequently Asked Questions

What is the IUPAC name of 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene?
The IUPAC name of 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene (CID 144692126) is 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene.
What is the SMILES notation for 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene?
The canonical SMILES for 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene is CC.CC.CCCC1(CCC)CCc2ccc(C)cc21.CCCC1(CCC)CCc2ccccc21.
What is the InChIKey of 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene?
The InChIKey is DQNWXFHGLHUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C15H22.2C2H6/c1-4-9-16(10-5-2)11-8-14-7-6-13(3)12-15(14)16;1-3-10-15(11-4-2)12-9-13-7-5-6-8-14(13)15;2*1-2/h6-7,12H,4-5,8-11H2,1-3H3;5-8H,3-4,9-12H2,1-2H3;2*1-2H3.
What are the key properties of 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene?
3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene has a molecular weight of 478.85 g/mol, XLogP of 11.30, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipropyl-1,2-dihydroindene;ethane;5-methyl-3,3-dipropyl-1,2-dihydroindene is sourced from PubChem (CID 144692126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).