(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol

C9H16O3 — CID 15923819

IUPAC(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
SMILESC=CC1CC(CO)OC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-4-7-5-8(6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyVJZBBUOFNGOCHA-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds2

About (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol

(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol (PubChem CID 15923819) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol.

Molecular Properties

Compound Name(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
PubChem CID15923819
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
SMILESC=CC1CC(CO)OC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-4-7-5-8(6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyVJZBBUOFNGOCHA-UHFFFAOYSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
[(4R,6S)-2,2-dimethyl-6-pent-4-enyl-1,3-dioxan-4-yl]methanol
CID 11344917
actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
2-(6-formyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid
CID 14423957
2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 14423958
(4R,6S)-4-[[(4R,6R)-2,2-dimethyl-6-(3-phenylpropyl)-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
CID 118085888
[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]methanol
CID 10704445
(4S,6S)-6-ethyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 59093862
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
(4R,6R)-6-benzyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 42600180
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71351284
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
The IUPAC name of (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol (CID 15923819) is (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol.
What is the SMILES notation for (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
The canonical SMILES for (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol is C=CC1CC(CO)OC(C)(C)O1.
What is the InChIKey of (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
The InChIKey is VJZBBUOFNGOCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-7-5-8(6-10)12-9(2,3)11-7/h4,7-8,10H,1,5-6H2,2-3H3.
What are the key properties of (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol?
(6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol is sourced from PubChem (CID 15923819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).