(1R)-1-hexadecyl-2,3-dihydro-1H-indene

C25H42 — CID 98094176

IUPAC(1R)-1-hexadecyl-2,3-dihydro-1H-indene
SMILESCCCCCCCCCCCCCCCC[C@@H]1CCc2ccccc21
InChIInChI=1S/C25H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21-22-24-19-16-17-20-25(23)24/h16-17,19-20,23H,2-15,18,21-22H2,1H3/t23-/m1/s1
InChIKeyQMGOXEWNQKNUQO-HSZRJFAPSA-N
MW342.61 g/mol
LogP8.59
Rot. Bonds15

About (1R)-1-hexadecyl-2,3-dihydro-1H-indene

(1R)-1-hexadecyl-2,3-dihydro-1H-indene (PubChem CID 98094176) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is (1R)-1-hexadecyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-1-hexadecyl-2,3-dihydro-1H-indene
PubChem CID98094176
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name(1R)-1-hexadecyl-2,3-dihydro-1H-indene
SMILESCCCCCCCCCCCCCCCC[C@@H]1CCc2ccccc21
InChIInChI=1S/C25H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21-22-24-19-16-17-20-25(23)24/h16-17,19-20,23H,2-15,18,21-22H2,1H3/t23-/m1/s1
InChIKeyQMGOXEWNQKNUQO-HSZRJFAPSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.59
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 58420594
1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
CID 71392483
4-hexyl-3,4-dihydro-2H-naphthalene-1-selone
CID 141438474
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
1-ethyl-2,3-dihydro-1H-indene
CID 20971
4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 23381499
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
CID 124705366
(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630
1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 10561836
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
9-nonyl-9H-fluorene
CID 22568532

Frequently Asked Questions

What is the IUPAC name of (1R)-1-hexadecyl-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-1-hexadecyl-2,3-dihydro-1H-indene (CID 98094176) is (1R)-1-hexadecyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-1-hexadecyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-1-hexadecyl-2,3-dihydro-1H-indene is CCCCCCCCCCCCCCCC[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-1-hexadecyl-2,3-dihydro-1H-indene?
The InChIKey is QMGOXEWNQKNUQO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21-22-24-19-16-17-20-25(23)24/h16-17,19-20,23H,2-15,18,21-22H2,1H3/t23-/m1/s1.
What are the key properties of (1R)-1-hexadecyl-2,3-dihydro-1H-indene?
(1R)-1-hexadecyl-2,3-dihydro-1H-indene has a molecular weight of 342.61 g/mol, XLogP of 8.59, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hexadecyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 98094176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).