1-decyl-2-(5-methoxyhexoxy)benzene

C23H40O2 — CID 57268252

IUPAC1-decyl-2-(5-methoxyhexoxy)benzene
SMILESCCCCCCCCCCc1ccccc1OCCCCC(C)OC
InChIInChI=1S/C23H40O2/c1-4-5-6-7-8-9-10-11-17-22-18-12-13-19-23(22)25-20-15-14-16-21(2)24-3/h12-13,18-19,21H,4-11,14-17,20H2,1-3H3
InChIKeyKXVMQPPTGREAPD-UHFFFAOYSA-N
MW348.57 g/mol
LogP6.95
Rot. Bonds16

About 1-decyl-2-(5-methoxyhexoxy)benzene

1-decyl-2-(5-methoxyhexoxy)benzene (PubChem CID 57268252) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-decyl-2-(5-methoxyhexoxy)benzene.

Molecular Properties

Compound Name1-decyl-2-(5-methoxyhexoxy)benzene
PubChem CID57268252
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Name1-decyl-2-(5-methoxyhexoxy)benzene
SMILESCCCCCCCCCCc1ccccc1OCCCCC(C)OC
InChIInChI=1S/C23H40O2/c1-4-5-6-7-8-9-10-11-17-22-18-12-13-19-23(22)25-20-15-14-16-21(2)24-3/h12-13,18-19,21H,4-11,14-17,20H2,1-3H3
InChIKeyKXVMQPPTGREAPD-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-2-(6-octoxyheptoxy)benzene
CID 57153605
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-decyl-2-ethoxybenzene
CID 175243335
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
CID 71396064
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
1-(2-octylphenoxy)propan-2-ol
CID 142740915
1-methoxy-2-tetradecylbenzene
CID 69169530
1-ethyl-2-heptoxybenzene
CID 22723794

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-(5-methoxyhexoxy)benzene?
The IUPAC name of 1-decyl-2-(5-methoxyhexoxy)benzene (CID 57268252) is 1-decyl-2-(5-methoxyhexoxy)benzene.
What is the SMILES notation for 1-decyl-2-(5-methoxyhexoxy)benzene?
The canonical SMILES for 1-decyl-2-(5-methoxyhexoxy)benzene is CCCCCCCCCCc1ccccc1OCCCCC(C)OC.
What is the InChIKey of 1-decyl-2-(5-methoxyhexoxy)benzene?
The InChIKey is KXVMQPPTGREAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O2/c1-4-5-6-7-8-9-10-11-17-22-18-12-13-19-23(22)25-20-15-14-16-21(2)24-3/h12-13,18-19,21H,4-11,14-17,20H2,1-3H3.
What are the key properties of 1-decyl-2-(5-methoxyhexoxy)benzene?
1-decyl-2-(5-methoxyhexoxy)benzene has a molecular weight of 348.57 g/mol, XLogP of 6.95, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-(5-methoxyhexoxy)benzene is sourced from PubChem (CID 57268252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).