(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane

C9H16O2 — CID 123766397

IUPAC(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CC2CC2)O1
InChIInChI=1S/C9H16O2/c1-9(2)10-6-8(11-9)5-7-3-4-7/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeySFECNALUYLXAHM-MRVPVSSYSA-N
MW156.22 g/mol
LogP1.94
Rot. Bonds2

About (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 123766397) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID123766397
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CC2CC2)O1
InChIInChI=1S/C9H16O2/c1-9(2)10-6-8(11-9)5-7-3-4-7/h7-8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeySFECNALUYLXAHM-MRVPVSSYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
(4S,6S)-4-[[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-[[(4S,6S)-6-[[(4S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 11585308
(4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane
CID 129387417
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 107386040
CID 59269279
CID 59269279
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
(4R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyltellanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 132519104
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
[(2S,3R)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxiran-2-yl]methanol
CID 131019543

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane (CID 123766397) is (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](CC2CC2)O1.
What is the InChIKey of (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is SFECNALUYLXAHM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2)10-6-8(11-9)5-7-3-4-7/h7-8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 123766397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).