(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol

C17H28O5 — CID 100990652

IUPAC(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
SMILESCOCOCC[C@](C)(O)CCCOCOCc1ccccc1
InChIInChI=1S/C17H28O5/c1-17(18,10-12-21-14-19-2)9-6-11-20-15-22-13-16-7-4-3-5-8-16/h3-5,7-8,18H,6,9-15H2,1-2H3/t17-/m1/s1
InChIKeyCMBCMPXRKSWHEM-QGZVFWFLSA-N
MW312.41 g/mol
LogP2.72
Rot. Bonds13

About (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol

(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol (PubChem CID 100990652) has the molecular formula C17H28O5 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol.

Molecular Properties

Compound Name(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
PubChem CID100990652
Molecular FormulaC17H28O5
Molecular Weight312.41 g/mol
Exact Mass312.19
IUPAC Name(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
SMILESCOCOCC[C@](C)(O)CCCOCOCc1ccccc1
InChIInChI=1S/C17H28O5/c1-17(18,10-12-21-14-19-2)9-6-11-20-15-22-13-16-7-4-3-5-8-16/h3-5,7-8,18H,6,9-15H2,1-2H3/t17-/m1/s1
InChIKeyCMBCMPXRKSWHEM-QGZVFWFLSA-N
XLogP2.72
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
CID 57386791
1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
CID 134861887
7-methyl-9-phenylmethoxynon-4-yne-1,7-diol
CID 14544163
lithium pentoxymethoxymethylbenzene
CID 172535131
(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol
CID 11219680
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
undec-10-ynoxymethoxymethylbenzene
CID 156529711
2,2-dideuterio-3-hydroxy-5-phenylmethoxy-3-(trideuteriomethyl)pentanenitrile
CID 53474082
3-methyl-18-phenylmethoxyoctadec-1-en-3-ol
CID 15606204
6-(butylamino)-2-[3-(methoxymethoxy)propyl]-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 10812933
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol?
The IUPAC name of (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol (CID 100990652) is (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol.
What is the SMILES notation for (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol?
The canonical SMILES for (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol is COCOCC[C@](C)(O)CCCOCOCc1ccccc1.
What is the InChIKey of (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol?
The InChIKey is CMBCMPXRKSWHEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28O5/c1-17(18,10-12-21-14-19-2)9-6-11-20-15-22-13-16-7-4-3-5-8-16/h3-5,7-8,18H,6,9-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol?
(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol has a molecular weight of 312.41 g/mol, XLogP of 2.72, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol is sourced from PubChem (CID 100990652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).