(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one

C24H34O2 — CID 15415819

IUPAC(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one
SMILESCCCCCCCCCC[C@@H](OCc1cccc2ccccc12)C(C)=O
InChIInChI=1S/C24H34O2/c1-3-4-5-6-7-8-9-10-18-24(20(2)25)26-19-22-16-13-15-21-14-11-12-17-23(21)22/h11-17,24H,3-10,18-19H2,1-2H3/t24-/m1/s1
InChIKeyKEXCTAGSLUKHMB-XMMPIXPASA-N
MW354.53 g/mol
LogP6.84
Rot. Bonds13

About (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one

(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one (PubChem CID 15415819) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one.

Molecular Properties

Compound Name(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one
PubChem CID15415819
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one
SMILESCCCCCCCCCC[C@@H](OCc1cccc2ccccc12)C(C)=O
InChIInChI=1S/C24H34O2/c1-3-4-5-6-7-8-9-10-18-24(20(2)25)26-19-22-16-13-15-21-14-11-12-17-23(21)22/h11-17,24H,3-10,18-19H2,1-2H3/t24-/m1/s1
InChIKeyKEXCTAGSLUKHMB-XMMPIXPASA-N
XLogP6.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.84
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-(hexan-2-yloxymethyl)naphthalene
CID 126552542
1-naphthalen-1-ylnonan-2-ol
CID 19902465
3-ethoxyundecan-2-one
CID 10262699
1-(hexoxymethyl)naphthalene
CID 18427527
1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
1-hexoxy-3-naphthalen-1-ylpropan-1-ol
CID 54384522
1-(2-methylhexadecyl)naphthalene
CID 139758361
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
1-(2-bromodecyl)naphthalene
CID 65428546
5-naphthalen-1-ylheptadecan-2-one
CID 142778100

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one?
The IUPAC name of (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one (CID 15415819) is (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one.
What is the SMILES notation for (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one?
The canonical SMILES for (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one is CCCCCCCCCC[C@@H](OCc1cccc2ccccc12)C(C)=O.
What is the InChIKey of (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one?
The InChIKey is KEXCTAGSLUKHMB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H34O2/c1-3-4-5-6-7-8-9-10-18-24(20(2)25)26-19-22-16-13-15-21-14-11-12-17-23(21)22/h11-17,24H,3-10,18-19H2,1-2H3/t24-/m1/s1.
What are the key properties of (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one?
(3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one has a molecular weight of 354.53 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(naphthalen-1-ylmethoxy)tridecan-2-one is sourced from PubChem (CID 15415819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).