(5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol

C19H32O4 — CID 10958304

IUPAC(5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol
SMILESCOC(C[C@@H](CCC(C)O)C(C)COCc1ccccc1)OC
InChIInChI=1S/C19H32O4/c1-15(13-23-14-17-8-6-5-7-9-17)18(11-10-16(2)20)12-19(21-3)22-4/h5-9,15-16,18-20H,10-14H2,1-4H3/t15?,16?,18-/m1/s1
InChIKeyMXNACQPSEHJDMU-LEOMRAHMSA-N
MW324.46 g/mol
LogP3.63
Rot. Bonds12

About (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol

(5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol (PubChem CID 10958304) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol.

Molecular Properties

Compound Name(5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol
PubChem CID10958304
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name(5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol
SMILESCOC(C[C@@H](CCC(C)O)C(C)COCc1ccccc1)OC
InChIInChI=1S/C19H32O4/c1-15(13-23-14-17-8-6-5-7-9-17)18(11-10-16(2)20)12-19(21-3)22-4/h5-9,15-16,18-20H,10-14H2,1-4H3/t15?,16?,18-/m1/s1
InChIKeyMXNACQPSEHJDMU-LEOMRAHMSA-N
XLogP3.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
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

6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
CID 73319702
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(2R,3S,4R)-2,4-dimethyl-1-phenylmethoxyhept-5-yn-3-ol
CID 71414407
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(4-hydroperoxy-4-methoxybutoxy)methylbenzene
CID 102051032
(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
CID 66827710
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
(2S,3R,4S)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 102572209
methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxyheptanoate
CID 11415120

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol?
The IUPAC name of (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol (CID 10958304) is (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol.
What is the SMILES notation for (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol?
The canonical SMILES for (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol is COC(C[C@@H](CCC(C)O)C(C)COCc1ccccc1)OC.
What is the InChIKey of (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol?
The InChIKey is MXNACQPSEHJDMU-LEOMRAHMSA-N. The full InChI is InChI=1S/C19H32O4/c1-15(13-23-14-17-8-6-5-7-9-17)18(11-10-16(2)20)12-19(21-3)22-4/h5-9,15-16,18-20H,10-14H2,1-4H3/t15?,16?,18-/m1/s1.
What are the key properties of (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol?
(5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol has a molecular weight of 324.46 g/mol, XLogP of 3.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,2-dimethoxyethyl)-6-methyl-7-phenylmethoxyheptan-2-ol is sourced from PubChem (CID 10958304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).