2-decoxy-6-(2-propoxypropyl)naphthalene

C26H40O2 — CID 19933744

IUPAC2-decoxy-6-(2-propoxypropyl)naphthalene
SMILESCCCCCCCCCCOc1ccc2cc(CC(C)OCCC)ccc2c1
InChIInChI=1S/C26H40O2/c1-4-6-7-8-9-10-11-12-18-28-26-16-15-24-20-23(13-14-25(24)21-26)19-22(3)27-17-5-2/h13-16,20-22H,4-12,17-19H2,1-3H3
InChIKeyDONFPCPDHPSZOH-UHFFFAOYSA-N
MW384.60 g/mol
LogP7.72
Rot. Bonds15

About 2-decoxy-6-(2-propoxypropyl)naphthalene

2-decoxy-6-(2-propoxypropyl)naphthalene (PubChem CID 19933744) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 2-decoxy-6-(2-propoxypropyl)naphthalene.

Molecular Properties

Compound Name2-decoxy-6-(2-propoxypropyl)naphthalene
PubChem CID19933744
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name2-decoxy-6-(2-propoxypropyl)naphthalene
SMILESCCCCCCCCCCOc1ccc2cc(CC(C)OCCC)ccc2c1
InChIInChI=1S/C26H40O2/c1-4-6-7-8-9-10-11-12-18-28-26-16-15-24-20-23(13-14-25(24)21-26)19-22(3)27-17-5-2/h13-16,20-22H,4-12,17-19H2,1-3H3
InChIKeyDONFPCPDHPSZOH-UHFFFAOYSA-N
XLogP7.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.72
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-decoxy-4-(2-methylpropyl)benzene
CID 58996843
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
2-[4-[4-[(2S)-2-decoxypropyl]phenyl]phenyl]-5-hexoxypyrimidine
CID 18647456
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
4-[2-(6-pentoxynaphthalen-2-yl)ethyl]benzoic acid
CID 20632209
2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581
(2R)-2-methyl-1-[4-[2-(6-undecoxynaphthalen-2-yl)ethyl]phenyl]octan-1-one
CID 150153619
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
[(2R)-octan-2-yl] 4-[(6-heptadecoxynaphthalen-2-yl)oxymethyl]benzoate
CID 14847695
2-heptoxy-6-[2-(4-pentylphenyl)ethynyl]naphthalene
CID 19912485

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-6-(2-propoxypropyl)naphthalene?
The IUPAC name of 2-decoxy-6-(2-propoxypropyl)naphthalene (CID 19933744) is 2-decoxy-6-(2-propoxypropyl)naphthalene.
What is the SMILES notation for 2-decoxy-6-(2-propoxypropyl)naphthalene?
The canonical SMILES for 2-decoxy-6-(2-propoxypropyl)naphthalene is CCCCCCCCCCOc1ccc2cc(CC(C)OCCC)ccc2c1.
What is the InChIKey of 2-decoxy-6-(2-propoxypropyl)naphthalene?
The InChIKey is DONFPCPDHPSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2/c1-4-6-7-8-9-10-11-12-18-28-26-16-15-24-20-23(13-14-25(24)21-26)19-22(3)27-17-5-2/h13-16,20-22H,4-12,17-19H2,1-3H3.
What are the key properties of 2-decoxy-6-(2-propoxypropyl)naphthalene?
2-decoxy-6-(2-propoxypropyl)naphthalene has a molecular weight of 384.60 g/mol, XLogP of 7.72, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-6-(2-propoxypropyl)naphthalene is sourced from PubChem (CID 19933744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).