1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene

C23H32 — CID 23593490

IUPAC1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene
SMILESCCC(CC)(C1=C2CCCCC2C=C1)C1=C2CCCCC2C=C1
InChIInChI=1S/C23H32/c1-3-23(4-2,21-15-13-17-9-5-7-11-19(17)21)22-16-14-18-10-6-8-12-20(18)22/h13-18H,3-12H2,1-2H3
InChIKeyBYIOMQPXRYXWTA-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.91
Rot. Bonds4

About 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene

1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene (PubChem CID 23593490) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene.

Molecular Properties

Compound Name1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene
PubChem CID23593490
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene
SMILESCCC(CC)(C1=C2CCCCC2C=C1)C1=C2CCCCC2C=C1
InChIInChI=1S/C23H32/c1-3-23(4-2,21-15-13-17-9-5-7-11-19(17)21)22-16-14-18-10-6-8-12-20(18)22/h13-18H,3-12H2,1-2H3
InChIKeyBYIOMQPXRYXWTA-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene with MolForge

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Related Compounds

dimethyl-(4,5,6,7-tetrahydro-3aH-inden-1-yl)-(4,5,6,7-tetrahydro-3H-inden-1-yl)silane
CID 20749060
6-cyclohexa-2,5-dien-1-yl-1,2,3,3a-tetrahydropentalene
CID 123358545
5,6,7,8-tetrahydro-4aH-naphthalen-2-one
CID 69409971
2-ethyl-3-methylidenecycloheptan-1-ol
CID 71439619
(Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine
CID 67951438
1-chloro-4,5,6,7-tetrahydro-1H-indene;ethanol;titanium
CID 88524321
1,2,3,4,4a,5,6,6a-octahydrophenanthridin-9-ol
CID 70538927
4-methylcyclooct-2-en-1-one
CID 91000254
1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
CID 18402294
2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
CID 10749429
3-butyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 15273444
4,5,6,7-tetrahydro-3aH-indazol-2-ium
CID 173071862

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene?
The IUPAC name of 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene (CID 23593490) is 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene.
What is the SMILES notation for 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene?
The canonical SMILES for 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene is CCC(CC)(C1=C2CCCCC2C=C1)C1=C2CCCCC2C=C1.
What is the InChIKey of 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene?
The InChIKey is BYIOMQPXRYXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-3-23(4-2,21-15-13-17-9-5-7-11-19(17)21)22-16-14-18-10-6-8-12-20(18)22/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene?
1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene has a molecular weight of 308.51 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5,6,7-tetrahydro-3aH-inden-1-yl)pentan-3-yl]-4,5,6,7-tetrahydro-3aH-indene is sourced from PubChem (CID 23593490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).