[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol

C12H22O3 — CID 11344917

IUPAC[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol
SMILESC=CCCC[C@H]1C[C@H](CO)OC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-7-10-8-11(9-13)15-12(2,3)14-10/h4,10-11,13H,1,5-9H2,2-3H3/t10-,11+/m0/s1
InChIKeyVUKJSTBLPUVXDR-WDEREUQCSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds5

About [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol

[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol (PubChem CID 11344917) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol
PubChem CID11344917
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol
SMILESC=CCCC[C@H]1C[C@H](CO)OC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-7-10-8-11(9-13)15-12(2,3)14-10/h4,10-11,13H,1,5-9H2,2-3H3/t10-,11+/m0/s1
InChIKeyVUKJSTBLPUVXDR-WDEREUQCSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 15923819
actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
(4R,6S)-4-[2-(benzenesulfonyl)ethyl]-2,2-dimethyl-6-pent-4-enyl-1,3-dioxane
CID 11210361
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]methanol
CID 10704445
2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetonitrile
CID 10867228

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol (CID 11344917) is [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol is C=CCCC[C@H]1C[C@H](CO)OC(C)(C)O1.
What is the InChIKey of [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol?
The InChIKey is VUKJSTBLPUVXDR-WDEREUQCSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-5-6-7-10-8-11(9-13)15-12(2,3)14-10/h4,10-11,13H,1,5-9H2,2-3H3/t10-,11+/m0/s1.
What are the key properties of [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol?
[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol has a molecular weight of 214.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 11344917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).