1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene

C25H36 — CID 58048969

IUPAC1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCC(CCC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C25H36/c1-3-17-25(18-4-2,23-15-13-19-9-5-7-11-21(19)23)24-16-14-20-10-6-8-12-22(20)24/h5-12,19-24H,3-4,13-18H2,1-2H3
InChIKeyHSPHFLWOGQCVPP-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.11
Rot. Bonds6

About 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene

1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 58048969) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID58048969
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCCC(CCC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C25H36/c1-3-17-25(18-4-2,23-15-13-19-9-5-7-11-21(19)23)24-16-14-20-10-6-8-12-22(20)24/h5-12,19-24H,3-4,13-18H2,1-2H3
InChIKeyHSPHFLWOGQCVPP-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentan-1-ol
CID 18622622
[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622729
[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622844
1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[5-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)nonan-5-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentan-3-yl]-2,3,3a,7a-tetrahydro-1H-indene;1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-phenylethyl]-2,3,3a,7a-tetrahydro-1H-indene;1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-phenylpent-4-enyl]-2,3,3a,7a-tetrahydro-1H-indene;bis(1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,7a-tetrahydro-1H-indene);propane
CID 162276865
lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane
CID 162289523
9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 140872855
1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-propylsiletane
CID 18512859
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane
CID 59930608
1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)
CID 23229330
4,4-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triphenylsilane
CID 18622644
[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622847
(1R,7aR)-1-[(4-ethyl-2,3,5,6-tetrafluorophenyl)methyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 176591706

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene (CID 58048969) is 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene is CCCC(CCC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is HSPHFLWOGQCVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36/c1-3-17-25(18-4-2,23-15-13-19-9-5-7-11-21(19)23)24-16-14-20-10-6-8-12-22(20)24/h5-12,19-24H,3-4,13-18H2,1-2H3.
What are the key properties of 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene?
1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 336.56 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 58048969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).