ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene

C18H32O — CID 142307264

IUPACethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
SMILESCC.CC(C)CCOc1cccc(CCC(C)C)c1
InChIInChI=1S/C16H26O.C2H6/c1-13(2)8-9-15-6-5-7-16(12-15)17-11-10-14(3)4;1-2/h5-7,12-14H,8-11H2,1-4H3;1-2H3
InChIKeyPAVYDMBBEYPNBA-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.73
Rot. Bonds7

About ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene

ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene (PubChem CID 142307264) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene.

Molecular Properties

Compound Nameethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
PubChem CID142307264
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Nameethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
SMILESCC.CC(C)CCOc1cccc(CCC(C)C)c1
InChIInChI=1S/C16H26O.C2H6/c1-13(2)8-9-15-6-5-7-16(12-15)17-11-10-14(3)4;1-2/h5-7,12-14H,8-11H2,1-4H3;1-2H3
InChIKeyPAVYDMBBEYPNBA-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
CID 54800482
1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
The IUPAC name of ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene (CID 142307264) is ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene.
What is the SMILES notation for ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
The canonical SMILES for ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene is CC.CC(C)CCOc1cccc(CCC(C)C)c1.
What is the InChIKey of ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
The InChIKey is PAVYDMBBEYPNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.C2H6/c1-13(2)8-9-15-6-5-7-16(12-15)17-11-10-14(3)4;1-2/h5-7,12-14H,8-11H2,1-4H3;1-2H3.
What are the key properties of ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene has a molecular weight of 264.45 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene is sourced from PubChem (CID 142307264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).