methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate

C18H26O4 — CID 10892135

IUPACmethyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H26O4/c1-18(2)21-13-16(22-18)12-15(17(19)20-3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15?,16-/m0/s1
InChIKeyUMRCRKRAMNPTPG-LYKKTTPLSA-N
MW306.40 g/mol
LogP3.34
Rot. Bonds7

About methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate

methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate (PubChem CID 10892135) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate
PubChem CID10892135
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Namemethyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H26O4/c1-18(2)21-13-16(22-18)12-15(17(19)20-3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15?,16-/m0/s1
InChIKeyUMRCRKRAMNPTPG-LYKKTTPLSA-N
XLogP3.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate with MolForge

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Related Compounds

(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
dimethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate
CID 75090382
methyl (2R)-2-benzyl-3-[(2S)-oxiran-2-yl]propanoate
CID 59131552
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethylamino]-3-oxo-6-phenylhexanoic acid
CID 70436183
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 70506294
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
methyl (2S)-2-[[(2S)-oxiran-2-yl]methyl]-3-phenylmethoxypropanoate
CID 59131751
[(2R,3S)-3-benzoyloxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-ethoxy-4-oxobutan-2-yl] benzoate
CID 11123320
(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-3-phenylmethoxybutan-1-ol
CID 10517901
methyl 4-oxo-2-(2-phenylethyl)pentanoate
CID 100937736

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate?
The IUPAC name of methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate (CID 10892135) is methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate.
What is the SMILES notation for methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate?
The canonical SMILES for methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate is COC(=O)C(CCCc1ccccc1)C[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate?
The InChIKey is UMRCRKRAMNPTPG-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H26O4/c1-18(2)21-13-16(22-18)12-15(17(19)20-3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate?
methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate has a molecular weight of 306.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate is sourced from PubChem (CID 10892135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).