[(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene

C15H24O4 — CID 124630788

IUPAC[(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene
SMILESCOC(C[C@H](C[C@@H](OC)c1ccccc1)OC)OC
InChIInChI=1S/C15H24O4/c1-16-13(11-15(18-3)19-4)10-14(17-2)12-8-6-5-7-9-12/h5-9,13-15H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyNBJJECDPNZLNAN-UONOGXRCSA-N
MW268.35 g/mol
LogP2.79
Rot. Bonds9

About [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene

[(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene (PubChem CID 124630788) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene.

Molecular Properties

Compound Name[(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene
PubChem CID124630788
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene
SMILESCOC(C[C@H](C[C@@H](OC)c1ccccc1)OC)OC
InChIInChI=1S/C15H24O4/c1-16-13(11-15(18-3)19-4)10-14(17-2)12-8-6-5-7-9-12/h5-9,13-15H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyNBJJECDPNZLNAN-UONOGXRCSA-N
XLogP2.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1,3-dimethoxypentadec-8-ynylbenzene
CID 90962024
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
N-iodo-2-methoxy-2-phenylethanamine
CID 175279844
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
CID 140824843
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
3-methoxy-3-phenylpropanoic acid
CID 13379217
[(4S)-4-methoxyhexan-2-yl]benzene
CID 166439539
2-(2-chloro-4-methoxy-4-phenylbutyl)sulfanyl-1,3,5-trimethylbenzene
CID 102415372
(2-benzylselanyl-1-methoxyethyl)benzene
CID 15257784

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene?
The IUPAC name of [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene (CID 124630788) is [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene.
What is the SMILES notation for [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene?
The canonical SMILES for [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene is COC(C[C@H](C[C@@H](OC)c1ccccc1)OC)OC.
What is the InChIKey of [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene?
The InChIKey is NBJJECDPNZLNAN-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24O4/c1-16-13(11-15(18-3)19-4)10-14(17-2)12-8-6-5-7-9-12/h5-9,13-15H,10-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene?
[(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene has a molecular weight of 268.35 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene is sourced from PubChem (CID 124630788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).