1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene

C34H44O2 — CID 143968515

IUPAC1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene
SMILESCCCCOC.CCCc1ccc2cc(OCCCc3ccc4cc(C(C)C)ccc4c3)ccc2c1
InChIInChI=1S/C29H32O.C5H12O/c1-4-6-22-8-11-28-20-29(15-14-26(28)17-22)30-16-5-7-23-9-10-27-19-24(21(2)3)12-13-25(27)18-23;1-3-4-5-6-2/h8-15,17-21H,4-7,16H2,1-3H3;3-5H2,1-2H3
InChIKeyLFVNATWCTHXDOC-UHFFFAOYSA-N
MW484.72 g/mol
LogP9.51
Rot. Bonds11

About 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene

1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene (PubChem CID 143968515) has the molecular formula C34H44O2 and a molecular weight of 484.72 g/mol. Its IUPAC name is 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene.

Molecular Properties

Compound Name1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene
PubChem CID143968515
Molecular FormulaC34H44O2
Molecular Weight484.72 g/mol
Exact Mass484.33
IUPAC Name1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene
SMILESCCCCOC.CCCc1ccc2cc(OCCCc3ccc4cc(C(C)C)ccc4c3)ccc2c1
InChIInChI=1S/C29H32O.C5H12O/c1-4-6-22-8-11-28-20-29(15-14-26(28)17-22)30-16-5-7-23-9-10-27-19-24(21(2)3)12-13-25(27)18-23;1-3-4-5-6-2/h8-15,17-21H,4-7,16H2,1-3H3;3-5H2,1-2H3
InChIKeyLFVNATWCTHXDOC-UHFFFAOYSA-N
XLogP9.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 59.51
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

2-butyl-6-propylnaphthalene
CID 58232616
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
2-(methoxymethyl)-6-propan-2-ylnaphthalene
CID 142029465
2-butyl-6-propylnaphthalene;propane
CID 123540121
N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine
CID 121353391
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene
CID 90144659
2-methoxy-6-[1-[3-(4-methoxyphenyl)propoxy]ethyl]naphthalene
CID 156596309
1-butyl-4-propan-2-ylbenzene;1-(3-methylbutoxy)-2-propylbenzene;1-(3-methylbutoxy)-3-propylbenzene;1-(3-methylbutoxy)-4-propylbenzene
CID 163479378
2-decoxy-6-(2-propoxypropyl)naphthalene
CID 19933744
4-[2-(6-pentoxynaphthalen-2-yl)ethyl]benzoic acid
CID 20632209
2-(3-phenylpropoxy)naphthalene
CID 13432986

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene?
The IUPAC name of 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene (CID 143968515) is 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene.
What is the SMILES notation for 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene?
The canonical SMILES for 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene is CCCCOC.CCCc1ccc2cc(OCCCc3ccc4cc(C(C)C)ccc4c3)ccc2c1.
What is the InChIKey of 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene?
The InChIKey is LFVNATWCTHXDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O.C5H12O/c1-4-6-22-8-11-28-20-29(15-14-26(28)17-22)30-16-5-7-23-9-10-27-19-24(21(2)3)12-13-25(27)18-23;1-3-4-5-6-2/h8-15,17-21H,4-7,16H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene?
1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene has a molecular weight of 484.72 g/mol, XLogP of 9.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutane;2-propan-2-yl-6-[3-(6-propylnaphthalen-2-yl)oxypropyl]naphthalene is sourced from PubChem (CID 143968515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).