[(2R)-2-methylheptoxy]methylbenzene

C15H24O — CID 126666980

IUPAC[(2R)-2-methylheptoxy]methylbenzene
SMILESCCCCC[C@@H](C)COCc1ccccc1
InChIInChI=1S/C15H24O/c1-3-4-6-9-14(2)12-16-13-15-10-7-5-8-11-15/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3/t14-/m1/s1
InChIKeySOKPIFXUSQWMOF-CQSZACIVSA-N
MW220.36 g/mol
LogP4.42
Rot. Bonds8

About [(2R)-2-methylheptoxy]methylbenzene

[(2R)-2-methylheptoxy]methylbenzene (PubChem CID 126666980) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(2R)-2-methylheptoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-2-methylheptoxy]methylbenzene
PubChem CID126666980
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(2R)-2-methylheptoxy]methylbenzene
SMILESCCCCC[C@@H](C)COCc1ccccc1
InChIInChI=1S/C15H24O/c1-3-4-6-9-14(2)12-16-13-15-10-7-5-8-11-15/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3/t14-/m1/s1
InChIKeySOKPIFXUSQWMOF-CQSZACIVSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyloctoxymethylbenzene
CID 134979791
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
4-[4-(2-methyloctoxymethyl)phenyl]-5-phenyl-1,3-dithiole
CID 143407061
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
N-ethyl-1-phenylmethoxyhexan-2-amine
CID 131008308
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
N-phenylmethoxyheptan-2-amine
CID 82709260
benzyl 2,5-dimethyltetradecanoate
CID 177381525

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylheptoxy]methylbenzene?
The IUPAC name of [(2R)-2-methylheptoxy]methylbenzene (CID 126666980) is [(2R)-2-methylheptoxy]methylbenzene.
What is the SMILES notation for [(2R)-2-methylheptoxy]methylbenzene?
The canonical SMILES for [(2R)-2-methylheptoxy]methylbenzene is CCCCC[C@@H](C)COCc1ccccc1.
What is the InChIKey of [(2R)-2-methylheptoxy]methylbenzene?
The InChIKey is SOKPIFXUSQWMOF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24O/c1-3-4-6-9-14(2)12-16-13-15-10-7-5-8-11-15/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-methylheptoxy]methylbenzene?
[(2R)-2-methylheptoxy]methylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylheptoxy]methylbenzene is sourced from PubChem (CID 126666980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).