1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene

C30H36O2 — CID 91406926

IUPAC1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
SMILESCCCCOCc1ccc2ccccc2c1.CCCCOCc1cccc2ccccc12
InChIInChI=1S/2C15H18O/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14;1-2-3-10-16-12-13-8-9-14-6-4-5-7-15(14)11-13/h4-10H,2-3,11-12H2,1H3;4-9,11H,2-3,10,12H2,1H3
InChIKeyMFMNHICCQCUYMH-UHFFFAOYSA-N
MW428.62 g/mol
LogP8.31
Rot. Bonds10

About 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene

1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene (PubChem CID 91406926) has the molecular formula C30H36O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene.

Molecular Properties

Compound Name1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
PubChem CID91406926
Molecular FormulaC30H36O2
Molecular Weight428.62 g/mol
Exact Mass428.27
IUPAC Name1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
SMILESCCCCOCc1ccc2ccccc2c1.CCCCOCc1cccc2ccccc12
InChIInChI=1S/2C15H18O/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14;1-2-3-10-16-12-13-8-9-14-6-4-5-7-15(14)11-13/h4-10H,2-3,11-12H2,1H3;4-9,11H,2-3,10,12H2,1H3
InChIKeyMFMNHICCQCUYMH-UHFFFAOYSA-N
XLogP8.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 58.31
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-(octoxymethyl)naphthalene
CID 101192870
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CID 18427527
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CID 58718918
2-(ethoxymethyl)naphthalene
CID 11063138
6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826
1-(5-bromopentoxymethyl)naphthalene
CID 19101842
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
butoxymethylbenzene;ethane
CID 145341806
N-[4-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]-1-phenanthren-2-ylmethanamine
CID 142283907
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
1,5-bis(henicosa-6,8-diynoxymethyl)anthracene
CID 102433852
1-(henicosa-7,9-diynoxymethyl)-5-(nonacosa-15,17-diynoxymethyl)anthracene
CID 102433855

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene?
The IUPAC name of 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene (CID 91406926) is 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene.
What is the SMILES notation for 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene?
The canonical SMILES for 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene is CCCCOCc1ccc2ccccc2c1.CCCCOCc1cccc2ccccc12.
What is the InChIKey of 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene?
The InChIKey is MFMNHICCQCUYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18O/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14;1-2-3-10-16-12-13-8-9-14-6-4-5-7-15(14)11-13/h4-10H,2-3,11-12H2,1H3;4-9,11H,2-3,10,12H2,1H3.
What are the key properties of 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene?
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene has a molecular weight of 428.62 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene is sourced from PubChem (CID 91406926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).