1-(7-butoxyoctyl)-2-decoxynaphthalene

C32H52O2 — CID 19933711

IUPAC1-(7-butoxyoctyl)-2-decoxynaphthalene
SMILESCCCCCCCCCCOc1ccc2ccccc2c1CCCCCCC(C)OCCCC
InChIInChI=1S/C32H52O2/c1-4-6-8-9-10-11-14-19-27-34-32-25-24-29-21-17-18-22-30(29)31(32)23-16-13-12-15-20-28(3)33-26-7-5-2/h17-18,21-22,24-25,28H,4-16,19-20,23,26-27H2,1-3H3
InChIKeyGPIZSTOVIVAXOI-UHFFFAOYSA-N
MW468.77 g/mol
LogP10.06
Rot. Bonds21

About 1-(7-butoxyoctyl)-2-decoxynaphthalene

1-(7-butoxyoctyl)-2-decoxynaphthalene (PubChem CID 19933711) has the molecular formula C32H52O2 and a molecular weight of 468.77 g/mol. Its IUPAC name is 1-(7-butoxyoctyl)-2-decoxynaphthalene.

Molecular Properties

Compound Name1-(7-butoxyoctyl)-2-decoxynaphthalene
PubChem CID19933711
Molecular FormulaC32H52O2
Molecular Weight468.77 g/mol
Exact Mass468.40
IUPAC Name1-(7-butoxyoctyl)-2-decoxynaphthalene
SMILESCCCCCCCCCCOc1ccc2ccccc2c1CCCCCCC(C)OCCCC
InChIInChI=1S/C32H52O2/c1-4-6-8-9-10-11-14-19-27-34-32-25-24-29-21-17-18-22-30(29)31(32)23-16-13-12-15-20-28(3)33-26-7-5-2/h17-18,21-22,24-25,28H,4-16,19-20,23,26-27H2,1-3H3
InChIKeyGPIZSTOVIVAXOI-UHFFFAOYSA-N
XLogP10.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 510.06
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
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
2-(2-butoxynaphthalen-1-yl)acetate
CID 7037013

Frequently Asked Questions

What is the IUPAC name of 1-(7-butoxyoctyl)-2-decoxynaphthalene?
The IUPAC name of 1-(7-butoxyoctyl)-2-decoxynaphthalene (CID 19933711) is 1-(7-butoxyoctyl)-2-decoxynaphthalene.
What is the SMILES notation for 1-(7-butoxyoctyl)-2-decoxynaphthalene?
The canonical SMILES for 1-(7-butoxyoctyl)-2-decoxynaphthalene is CCCCCCCCCCOc1ccc2ccccc2c1CCCCCCC(C)OCCCC.
What is the InChIKey of 1-(7-butoxyoctyl)-2-decoxynaphthalene?
The InChIKey is GPIZSTOVIVAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O2/c1-4-6-8-9-10-11-14-19-27-34-32-25-24-29-21-17-18-22-30(29)31(32)23-16-13-12-15-20-28(3)33-26-7-5-2/h17-18,21-22,24-25,28H,4-16,19-20,23,26-27H2,1-3H3.
What are the key properties of 1-(7-butoxyoctyl)-2-decoxynaphthalene?
1-(7-butoxyoctyl)-2-decoxynaphthalene has a molecular weight of 468.77 g/mol, XLogP of 10.06, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-butoxyoctyl)-2-decoxynaphthalene is sourced from PubChem (CID 19933711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).