1-tert-butyl-2-pentan-2-yloxybenzene

C15H24O — CID 107888354

IUPAC1-tert-butyl-2-pentan-2-yloxybenzene
SMILESCCCC(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H24O/c1-6-9-12(2)16-14-11-8-7-10-13(14)15(3,4)5/h7-8,10-12H,6,9H2,1-5H3
InChIKeyDNBHDPRITPDANR-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.55
Rot. Bonds4

About 1-tert-butyl-2-pentan-2-yloxybenzene

1-tert-butyl-2-pentan-2-yloxybenzene (PubChem CID 107888354) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-tert-butyl-2-pentan-2-yloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2-pentan-2-yloxybenzene
PubChem CID107888354
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-tert-butyl-2-pentan-2-yloxybenzene
SMILESCCCC(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H24O/c1-6-9-12(2)16-14-11-8-7-10-13(14)15(3,4)5/h7-8,10-12H,6,9H2,1-5H3
InChIKeyDNBHDPRITPDANR-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
CID 114013779
2-pentan-2-yloxybenzenesulfonyl chloride
CID 86197607
bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium
CID 172864581
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-tert-butyl-2-heptoxybenzene
CID 64763672
N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451276
4-(2-tert-butylphenoxy)-2-methylbutan-1-amine
CID 112508268
2-(2-methoxyphenyl)-3-methylhexan-2-ol
CID 107892512

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-pentan-2-yloxybenzene?
The IUPAC name of 1-tert-butyl-2-pentan-2-yloxybenzene (CID 107888354) is 1-tert-butyl-2-pentan-2-yloxybenzene.
What is the SMILES notation for 1-tert-butyl-2-pentan-2-yloxybenzene?
The canonical SMILES for 1-tert-butyl-2-pentan-2-yloxybenzene is CCCC(C)Oc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-pentan-2-yloxybenzene?
The InChIKey is DNBHDPRITPDANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-9-12(2)16-14-11-8-7-10-13(14)15(3,4)5/h7-8,10-12H,6,9H2,1-5H3.
What are the key properties of 1-tert-butyl-2-pentan-2-yloxybenzene?
1-tert-butyl-2-pentan-2-yloxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-pentan-2-yloxybenzene is sourced from PubChem (CID 107888354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).