2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane

C10H18O2 — CID 164781587

IUPAC2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane
SMILESCC1(C)CC[C@@H]1CC1OCCO1
InChIInChI=1S/C10H18O2/c1-10(2)4-3-8(10)7-9-11-5-6-12-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMVUYCMXNQYUPGS-MRVPVSSYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds2

About 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane

2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane (PubChem CID 164781587) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane
PubChem CID164781587
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane
SMILESCC1(C)CC[C@@H]1CC1OCCO1
InChIInChI=1S/C10H18O2/c1-10(2)4-3-8(10)7-9-11-5-6-12-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMVUYCMXNQYUPGS-MRVPVSSYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 107271
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CID 11970893
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CID 110049
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CID 3565903
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CID 11971393
CID 11971393
CID 11971166
CID 11971166
CID 57429409
CID 57429409
CID 74325321
CID 74325321
CID 24881905
CID 24881905
CID 101868983
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CID 134963710
CID 134963710
CID 178416862
CID 178416862

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane?
The IUPAC name of 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane (CID 164781587) is 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane?
The canonical SMILES for 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane is CC1(C)CC[C@@H]1CC1OCCO1.
What is the InChIKey of 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane?
The InChIKey is MVUYCMXNQYUPGS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2)4-3-8(10)7-9-11-5-6-12-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane?
2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2,2-dimethylcyclobutyl]methyl]-1,3-dioxolane is sourced from PubChem (CID 164781587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).