(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol

C10H18O3 — CID 130148389

IUPAC(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
SMILESC=CCC1COC(C)(C)OC1CO
InChIInChI=1S/C10H18O3/c1-4-5-8-7-12-10(2,3)13-9(8)6-11/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyIGAOPSRUGMYWOK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.32
Rot. Bonds3

About (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol

(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol (PubChem CID 130148389) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
PubChem CID130148389
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
SMILESC=CCC1COC(C)(C)OC1CO
InChIInChI=1S/C10H18O3/c1-4-5-8-7-12-10(2,3)13-9(8)6-11/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyIGAOPSRUGMYWOK-UHFFFAOYSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.32
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

[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methylcarbamic acid
CID 69005124
(3-prop-2-enyloxetan-2-yl)methanol
CID 69422031
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[(2S,3R)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxiran-2-yl]methanol
CID 131019543
2-[(4R,5R)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-5-yl]acetonitrile
CID 10726667
(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 89411691
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
(1S)-1-[(4R,5S)-2,2-dimethyl-4-pentyl-1,3-dioxan-5-yl]but-3-en-1-ol
CID 10753586
1-[2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-dioxan-5-yl]-N-methylmethanamine
CID 66953648
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxane-4-carboxylic acid
CID 126712187
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11286917

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
The IUPAC name of (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol (CID 130148389) is (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
The canonical SMILES for (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol is C=CCC1COC(C)(C)OC1CO.
What is the InChIKey of (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
The InChIKey is IGAOPSRUGMYWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-5-8-7-12-10(2,3)13-9(8)6-11/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol?
(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol has a molecular weight of 186.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol is sourced from PubChem (CID 130148389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).