ethane;1-methyl-2-pentoxybenzene

C14H24O — CID 143283195

IUPACethane;1-methyl-2-pentoxybenzene
SMILESCC.CCCCCOc1ccccc1C
InChIInChI=1S/C12H18O.C2H6/c1-3-4-7-10-13-12-9-6-5-8-11(12)2;1-2/h5-6,8-9H,3-4,7,10H2,1-2H3;1-2H3
InChIKeyLPMCYOFVURWRBX-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.59
Rot. Bonds5

About ethane;1-methyl-2-pentoxybenzene

ethane;1-methyl-2-pentoxybenzene (PubChem CID 143283195) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is ethane;1-methyl-2-pentoxybenzene.

Molecular Properties

Compound Nameethane;1-methyl-2-pentoxybenzene
PubChem CID143283195
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nameethane;1-methyl-2-pentoxybenzene
SMILESCC.CCCCCOc1ccccc1C
InChIInChI=1S/C12H18O.C2H6/c1-3-4-7-10-13-12-9-6-5-8-11(12)2;1-2/h5-6,8-9H,3-4,7,10H2,1-2H3;1-2H3
InChIKeyLPMCYOFVURWRBX-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.59
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-methyl-2-pentadecoxybenzene
CID 154641785
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
1-butyl-2-nonoxybenzene
CID 118255282
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
2-octoxyaniline
CID 14747235

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-pentoxybenzene?
The IUPAC name of ethane;1-methyl-2-pentoxybenzene (CID 143283195) is ethane;1-methyl-2-pentoxybenzene.
What is the SMILES notation for ethane;1-methyl-2-pentoxybenzene?
The canonical SMILES for ethane;1-methyl-2-pentoxybenzene is CC.CCCCCOc1ccccc1C.
What is the InChIKey of ethane;1-methyl-2-pentoxybenzene?
The InChIKey is LPMCYOFVURWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C2H6/c1-3-4-7-10-13-12-9-6-5-8-11(12)2;1-2/h5-6,8-9H,3-4,7,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-2-pentoxybenzene?
ethane;1-methyl-2-pentoxybenzene has a molecular weight of 208.34 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-pentoxybenzene is sourced from PubChem (CID 143283195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).