1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene

C32H38O2 — CID 150761297

IUPAC1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
SMILESCCCCCCCCC(c1cccc2ccccc12)C(OC)(OC)c1cccc2ccccc12
InChIInChI=1S/C32H38O2/c1-4-5-6-7-8-9-23-31(29-22-14-18-25-16-10-12-20-27(25)29)32(33-2,34-3)30-24-15-19-26-17-11-13-21-28(26)30/h10-22,24,31H,4-9,23H2,1-3H3
InChIKeyJXWREKDDPHJATL-UHFFFAOYSA-N
MW454.65 g/mol
LogP8.97
Rot. Bonds12

About 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene

1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene (PubChem CID 150761297) has the molecular formula C32H38O2 and a molecular weight of 454.65 g/mol. Its IUPAC name is 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene.

Molecular Properties

Compound Name1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
PubChem CID150761297
Molecular FormulaC32H38O2
Molecular Weight454.65 g/mol
Exact Mass454.29
IUPAC Name1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
SMILESCCCCCCCCC(c1cccc2ccccc12)C(OC)(OC)c1cccc2ccccc12
InChIInChI=1S/C32H38O2/c1-4-5-6-7-8-9-23-31(29-22-14-18-25-16-10-12-20-27(25)29)32(33-2,34-3)30-24-15-19-26-17-11-13-21-28(26)30/h10-22,24,31H,4-9,23H2,1-3H3
InChIKeyJXWREKDDPHJATL-UHFFFAOYSA-N
XLogP8.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 14029925
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-octacosan-4-ylnaphthalene
CID 54149804
1-(1,1-dichloro-2-methyldecyl)naphthalene
CID 151559313
1-decan-5-ylnaphthalene
CID 14029915
2-(1,1,1-trimethoxydecan-2-yl)phenol
CID 150274664
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol
CID 151349887
1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788
2-naphthalen-1-yldodecanoic acid
CID 23333439

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene?
The IUPAC name of 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene (CID 150761297) is 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene.
What is the SMILES notation for 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene?
The canonical SMILES for 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene is CCCCCCCCC(c1cccc2ccccc12)C(OC)(OC)c1cccc2ccccc12.
What is the InChIKey of 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene?
The InChIKey is JXWREKDDPHJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O2/c1-4-5-6-7-8-9-23-31(29-22-14-18-25-16-10-12-20-27(25)29)32(33-2,34-3)30-24-15-19-26-17-11-13-21-28(26)30/h10-22,24,31H,4-9,23H2,1-3H3.
What are the key properties of 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene?
1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene has a molecular weight of 454.65 g/mol, XLogP of 8.97, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene is sourced from PubChem (CID 150761297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).