1-butoxy-3,5-ditert-butylbenzene

C18H30O — CID 57175272

IUPAC1-butoxy-3,5-ditert-butylbenzene
SMILESCCCCOc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H30O/c1-8-9-10-19-16-12-14(17(2,3)4)11-15(13-16)18(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyWMFVPGKIKOMBOO-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.46
Rot. Bonds4

About 1-butoxy-3,5-ditert-butylbenzene

1-butoxy-3,5-ditert-butylbenzene (PubChem CID 57175272) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-butoxy-3,5-ditert-butylbenzene.

Molecular Properties

Compound Name1-butoxy-3,5-ditert-butylbenzene
PubChem CID57175272
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-butoxy-3,5-ditert-butylbenzene
SMILESCCCCOc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H30O/c1-8-9-10-19-16-12-14(17(2,3)4)11-15(13-16)18(5,6)7/h11-13H,8-10H2,1-7H3
InChIKeyWMFVPGKIKOMBOO-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tributoxybenzene
CID 15933337
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
CID 86190346
1,3-ditert-butyl-5-[(3,5-ditert-butylphenoxy)methoxy]benzene
CID 21044549
1-[4-(3,5-ditert-butylphenoxy)butyl]-4-(1-hexylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102030143
1,3-ditert-butyl-5-[[4-[9-[4-[(3,5-ditert-butylphenoxy)methyl]phenoxy]nonoxy]phenyl]methoxy]benzene
CID 177395046
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
25,26,27,28-tetrabutoxy-5,11,17,23-tetratert-butyl-2,8,14,20-tetramethylidenepentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 132559227
2-tert-butyl-5-hexoxy-1,3-dimethylbenzene
CID 155766405
25,27-dibutoxy-5,11,17,23-tetratert-butyl-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101368304
methyl 3-(3,5-ditert-butylphenoxy)propanoate
CID 43132278
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
2,4,6-tributoxyaniline
CID 130240432

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3,5-ditert-butylbenzene?
The IUPAC name of 1-butoxy-3,5-ditert-butylbenzene (CID 57175272) is 1-butoxy-3,5-ditert-butylbenzene.
What is the SMILES notation for 1-butoxy-3,5-ditert-butylbenzene?
The canonical SMILES for 1-butoxy-3,5-ditert-butylbenzene is CCCCOc1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 1-butoxy-3,5-ditert-butylbenzene?
The InChIKey is WMFVPGKIKOMBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-8-9-10-19-16-12-14(17(2,3)4)11-15(13-16)18(5,6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of 1-butoxy-3,5-ditert-butylbenzene?
1-butoxy-3,5-ditert-butylbenzene has a molecular weight of 262.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3,5-ditert-butylbenzene is sourced from PubChem (CID 57175272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).