3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol

C10H18O3 — CID 151708786

IUPAC3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)C(CCO)CC1OCCO1
InChIInChI=1S/C10H18O3/c1-8(2)9(3-4-11)7-10-12-5-6-13-10/h9-11H,1,3-7H2,2H3
InChIKeyRGCUGYJNHOONMJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.32
Rot. Bonds5

About 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol

3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol (PubChem CID 151708786) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol
PubChem CID151708786
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)C(CCO)CC1OCCO1
InChIInChI=1S/C10H18O3/c1-8(2)9(3-4-11)7-10-12-5-6-13-10/h9-11H,1,3-7H2,2H3
InChIKeyRGCUGYJNHOONMJ-UHFFFAOYSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one
CID 103344069
2-(1,3-dioxolan-2-ylmethyl)propane-1,3-diol
CID 54397027
5-hydroxy-2-methylidene-3-(oxiran-2-ylmethyl)pentanoic acid
CID 91349686
2-(2,2-dimethoxyethyl)-1,3-dioxolane
CID 14470922
2-prop-1-en-2-ylpentylcyclobutane
CID 123471153
3-(cyclopentylmethyl)-5-hydroxypentan-2-one
CID 103344013
4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
CID 70443822
3,4-dimethylpent-4-en-1-ol
CID 14417455
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine
CID 103546935

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol (CID 151708786) is 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol is C=C(C)C(CCO)CC1OCCO1.
What is the InChIKey of 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol?
The InChIKey is RGCUGYJNHOONMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)9(3-4-11)7-10-12-5-6-13-10/h9-11H,1,3-7H2,2H3.
What are the key properties of 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol?
3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-ylmethyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 151708786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).