1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene

C23H36 — CID 159886761

IUPAC1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)C1CCc2ccccc21
InChIInChI=1S/C13H18.C10H18/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-10(2,3)9-7-5-4-6-8-9/h4-7,12H,8-9H2,1-3H3;7H,4-6,8H2,1-3H3
InChIKeyNUFRAMRAUFFDNB-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.30
Rot. Bonds

About 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene

1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene (PubChem CID 159886761) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene
PubChem CID159886761
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)C1CCc2ccccc21
InChIInChI=1S/C13H18.C10H18/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-10(2,3)9-7-5-4-6-8-9/h4-7,12H,8-9H2,1-3H3;7H,4-6,8H2,1-3H3
InChIKeyNUFRAMRAUFFDNB-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 169144923
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-tert-butylcyclohexene
CID 167559321
4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 159517528
1-tert-butyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 23542126
(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
CID 71027763
2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid
CID 15515052
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
1-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;(1S)-1-methyl-2,3-dihydro-1H-indene;bis((1R)-1-methyl-2,3-dihydro-1H-indene)
CID 159713466
4-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 58837525
3-[2-(2,3-dihydro-1H-inden-1-yl)propan-2-yloxy]-3-oxopropanoic acid
CID 170442750
11-tert-butyl-1,2,3,4,6,11-hexahydrobenzo[c][1]benzoxepine
CID 162498978
3-tert-butyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;rubidium(1+)
CID 58765126

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene (CID 159886761) is 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene is CC(C)(C)C1=CCCCC1.CC(C)(C)C1CCc2ccccc21.
What is the InChIKey of 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene?
The InChIKey is NUFRAMRAUFFDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C10H18/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-10(2,3)9-7-5-4-6-8-9/h4-7,12H,8-9H2,1-3H3;7H,4-6,8H2,1-3H3.
What are the key properties of 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene?
1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene has a molecular weight of 312.54 g/mol, XLogP of 7.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 159886761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).