1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C17H26 — CID 140575897

IUPAC1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc2c(c1)CCCC2C(C)(C)C
InChIInChI=1S/C17H26/c1-12(2)13-9-10-15-14(11-13)7-6-8-16(15)17(3,4)5/h9-12,16H,6-8H2,1-5H3
InChIKeyNHBBHXDXBRYJNI-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.28
Rot. Bonds1

About 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 140575897) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID140575897
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc2c(c1)CCCC2C(C)(C)C
InChIInChI=1S/C17H26/c1-12(2)13-9-10-15-14(11-13)7-6-8-16(15)17(3,4)5/h9-12,16H,6-8H2,1-5H3
InChIKeyNHBBHXDXBRYJNI-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 134573314
(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
CID 71027763
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
2-(8-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 140851110
2-tert-butyl-5-propan-2-yl-2,3-dihydro-1H-indene
CID 140575899
5-chloro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514784
6-[1-(1-amino-6-propan-2-yl-2,3-dihydro-1H-inden-2-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 146174337
tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 129385774
4-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 23542138
ethane;9-methyl-3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 176948054
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 83908610
1,2-ditert-butylcyclopentane;1,3-ditert-butylcyclopentane;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene
CID 162280253

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 140575897) is 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc2c(c1)CCCC2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NHBBHXDXBRYJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-12(2)13-9-10-15-14(11-13)7-6-8-16(15)17(3,4)5/h9-12,16H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 230.40 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 140575897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).