4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane

C10H18O3 — CID 146450833

IUPAC4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(COCC2CC2)O1
InChIInChI=1S/C10H18O3/c1-10(2)12-7-9(13-10)6-11-5-8-3-4-8/h8-9H,3-7H2,1-2H3
InChIKeyOLDPEUDZURFREK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.56
Rot. Bonds4

About 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane

4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 146450833) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID146450833
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(COCC2CC2)O1
InChIInChI=1S/C10H18O3/c1-10(2)12-7-9(13-10)6-11-5-8-3-4-8/h8-9H,3-7H2,1-2H3
InChIKeyOLDPEUDZURFREK-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
(4S)-4-(4-bromobutoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 118624680
(4R)-2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
CID 102409102
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
2,2-dimethyl-4-(methylsulfanyloxymethyl)-1,3-dioxolane
CID 126562588
4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
CID 91584937
(4S)-4-(hex-5-en-2-ynoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 9442589
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 59690888

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane (CID 146450833) is 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(COCC2CC2)O1.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is OLDPEUDZURFREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2)12-7-9(13-10)6-11-5-8-3-4-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 146450833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).