1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene

C20H28O — CID 143952575

IUPAC1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCC(c1cccc2c(OC(C)(C)C)cccc12)C(C)(C)C
InChIInChI=1S/C20H28O/c1-14(19(2,3)4)15-10-8-12-17-16(15)11-9-13-18(17)21-20(5,6)7/h8-14H,1-7H3
InChIKeyUFCCZHPFXKKUJU-UHFFFAOYSA-N
MW284.44 g/mol
LogP6.17
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene

1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene (PubChem CID 143952575) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene
PubChem CID143952575
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene
SMILESCC(c1cccc2c(OC(C)(C)C)cccc12)C(C)(C)C
InChIInChI=1S/C20H28O/c1-14(19(2,3)4)15-10-8-12-17-16(15)11-9-13-18(17)21-20(5,6)7/h8-14H,1-7H3
InChIKeyUFCCZHPFXKKUJU-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486900
2,3-bis[(2-methylpropan-2-yl)oxy]phenol
CID 22734690
CID 155601617
CID 155601617
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
(1S,2S)-N,N'-ditert-butyl-1,2-bis[2-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 155206861
dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium
CID 140681326
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
CID 155601631
CID 155601631
(5-butan-2-ylnaphthalen-1-yl) tert-butyl carbonate
CID 58078988
1,2-bis[(2-methylpropan-2-yl)oxy]naphthalene
CID 18761970
2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 91197714

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene (CID 143952575) is 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene is CC(c1cccc2c(OC(C)(C)C)cccc12)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene?
The InChIKey is UFCCZHPFXKKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-14(19(2,3)4)15-10-8-12-17-16(15)11-9-13-18(17)21-20(5,6)7/h8-14H,1-7H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene?
1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene has a molecular weight of 284.44 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene is sourced from PubChem (CID 143952575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).