4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane

C18H28O3 — CID 71659208

IUPAC4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane
SMILESC[C@H](CCOCc1ccccc1)CCC1OCOC1(C)C
InChIInChI=1S/C18H28O3/c1-15(9-10-17-18(2,3)21-14-20-17)11-12-19-13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3/t15-,17?/m0/s1
InChIKeyGBQIEOMPBJQVRQ-MYJWUSKBSA-N
MW292.42 g/mol
LogP4.16
Rot. Bonds8

About 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane

4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane (PubChem CID 71659208) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane.

Molecular Properties

Compound Name4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane
PubChem CID71659208
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane
SMILESC[C@H](CCOCc1ccccc1)CCC1OCOC1(C)C
InChIInChI=1S/C18H28O3/c1-15(9-10-17-18(2,3)21-14-20-17)11-12-19-13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3/t15-,17?/m0/s1
InChIKeyGBQIEOMPBJQVRQ-MYJWUSKBSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane with MolForge

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Related Compounds

(5R)-2,2,4,4-tetramethyl-5-[(5S)-5-methyl-7-phenylmethoxyheptyl]-1,3-dioxolane
CID 11089376
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
CID 71534406
3-[(2R)-4,4-dibromo-2-(2-phenylmethoxyethyl)but-3-enyl]-2,2-dimethyloxirane
CID 101387059
(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
CID 175085284
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
2,6-dimethyl-8-phenylmethoxyoct-2-enal
CID 71442461
[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene
CID 134859312
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane?
The IUPAC name of 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane (CID 71659208) is 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane.
What is the SMILES notation for 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane?
The canonical SMILES for 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane is C[C@H](CCOCc1ccccc1)CCC1OCOC1(C)C.
What is the InChIKey of 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane?
The InChIKey is GBQIEOMPBJQVRQ-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H28O3/c1-15(9-10-17-18(2,3)21-14-20-17)11-12-19-13-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3/t15-,17?/m0/s1.
What are the key properties of 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane?
4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane has a molecular weight of 292.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(3S)-3-methyl-5-phenylmethoxypentyl]-1,3-dioxolane is sourced from PubChem (CID 71659208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).