(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol

C16H30O4 — CID 54753822

IUPAC(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol
SMILESC=CC[C@@H]1O[C@H](C[C@H](O)CC)C[C@H](OCOC)C1(C)C
InChIInChI=1S/C16H30O4/c1-6-8-14-16(3,4)15(19-11-18-5)10-13(20-14)9-12(17)7-2/h6,12-15,17H,1,7-11H2,2-5H3/t12-,13-,14+,15+/m1/s1
InChIKeyMQNVHLNNEDWOHQ-KBXIAJHMSA-N
MW286.41 g/mol
LogP2.90
Rot. Bonds8

About (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol

(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol (PubChem CID 54753822) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol
PubChem CID54753822
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol
SMILESC=CC[C@@H]1O[C@H](C[C@H](O)CC)C[C@H](OCOC)C1(C)C
InChIInChI=1S/C16H30O4/c1-6-8-14-16(3,4)15(19-11-18-5)10-13(20-14)9-12(17)7-2/h6,12-15,17H,1,7-11H2,2-5H3/t12-,13-,14+,15+/m1/s1
InChIKeyMQNVHLNNEDWOHQ-KBXIAJHMSA-N
XLogP2.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,6R)-6-(2-hydroxybutyl)-2-[(2S)-2-hydroxypent-4-enyl]-3,3-dimethyloxan-4-ol
CID 102202843
2-[(2S,4S,6R)-6-[(2R)-2-hydroxybutyl]-3,3-dimethyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]acetic acid
CID 102443435
[(2R,4R)-6-acetyloxy-3,3-dimethyl-2-prop-2-enyloxan-4-yl] acetate
CID 102157151
(3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol
CID 11185911
cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
CID 124635148
cis-(2S,4S)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
CID 124635151
1-[(2R,4R,6S)-6-isocyano-3,3,4-trimethyloxan-2-yl]butan-2-ol
CID 58797942
(4S,6R)-4-[(3S)-3-(methoxymethoxy)heptadecyl]-2,2-dimethyl-6-prop-2-enyl-1,3-dioxane
CID 71567435
(2S,4R,6R)-6-[(2S)-2-hydroxy-3-methoxypropyl]-4-methoxy-5,5-dimethyloxane-2-carbonitrile
CID 71243514
(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol
CID 130917775
2-methyl-3-prop-2-enyl-N-(1-trimethoxysilylpropyl)oxiran-2-amine
CID 140564249
dimethyl 2-[(1R,2R,3R)-3-(methoxymethoxy)-2-methyl-2-prop-2-enylcyclohexyl]propanedioate
CID 11110260

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol?
The IUPAC name of (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol (CID 54753822) is (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol is C=CC[C@@H]1O[C@H](C[C@H](O)CC)C[C@H](OCOC)C1(C)C.
What is the InChIKey of (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol?
The InChIKey is MQNVHLNNEDWOHQ-KBXIAJHMSA-N. The full InChI is InChI=1S/C16H30O4/c1-6-8-14-16(3,4)15(19-11-18-5)10-13(20-14)9-12(17)7-2/h6,12-15,17H,1,7-11H2,2-5H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol?
(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol has a molecular weight of 286.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol is sourced from PubChem (CID 54753822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).