1-(pentan-2-yloxymethyl)naphthalene

C16H20O — CID 174371768

IUPAC1-(pentan-2-yloxymethyl)naphthalene
SMILESCCCC(C)OCc1cccc2ccccc12
InChIInChI=1S/C16H20O/c1-3-7-13(2)17-12-15-10-6-9-14-8-4-5-11-16(14)15/h4-6,8-11,13H,3,7,12H2,1-2H3
InChIKeyAPGSDXVJMQBEIH-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.55
Rot. Bonds5

About 1-(pentan-2-yloxymethyl)naphthalene

1-(pentan-2-yloxymethyl)naphthalene (PubChem CID 174371768) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(pentan-2-yloxymethyl)naphthalene.

Molecular Properties

Compound Name1-(pentan-2-yloxymethyl)naphthalene
PubChem CID174371768
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-(pentan-2-yloxymethyl)naphthalene
SMILESCCCC(C)OCc1cccc2ccccc12
InChIInChI=1S/C16H20O/c1-3-7-13(2)17-12-15-10-6-9-14-8-4-5-11-16(14)15/h4-6,8-11,13H,3,7,12H2,1-2H3
InChIKeyAPGSDXVJMQBEIH-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(hexan-2-yloxymethyl)naphthalene
CID 126552542
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 102987023
(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one
CID 15415819
1,2-bis(butan-2-yloxymethyl)benzene
CID 21285753
2-fluoro-3-(pentan-2-yloxymethyl)benzonitrile
CID 107115256
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
[6-(pentan-2-yloxymethyl)-2-pyridinyl]methanamine
CID 106908718
1-(3-chlorohexyl)naphthalene
CID 63461105
2-chloro-6-(pentan-2-yloxymethyl)pyridine
CID 102981475
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
1-(hexoxymethyl)naphthalene
CID 18427527

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-2-yloxymethyl)naphthalene?
The IUPAC name of 1-(pentan-2-yloxymethyl)naphthalene (CID 174371768) is 1-(pentan-2-yloxymethyl)naphthalene.
What is the SMILES notation for 1-(pentan-2-yloxymethyl)naphthalene?
The canonical SMILES for 1-(pentan-2-yloxymethyl)naphthalene is CCCC(C)OCc1cccc2ccccc12.
What is the InChIKey of 1-(pentan-2-yloxymethyl)naphthalene?
The InChIKey is APGSDXVJMQBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-7-13(2)17-12-15-10-6-9-14-8-4-5-11-16(14)15/h4-6,8-11,13H,3,7,12H2,1-2H3.
What are the key properties of 1-(pentan-2-yloxymethyl)naphthalene?
1-(pentan-2-yloxymethyl)naphthalene has a molecular weight of 228.34 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-2-yloxymethyl)naphthalene is sourced from PubChem (CID 174371768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).