2-cyclopentyl-2-methyl-1,3-dioxane

C10H18O2 — CID 45098524

IUPAC2-cyclopentyl-2-methyl-1,3-dioxane
SMILESCC1(C2CCCC2)OCCCO1
InChIInChI=1S/C10H18O2/c1-10(9-5-2-3-6-9)11-7-4-8-12-10/h9H,2-8H2,1H3
InChIKeyROTRQKZRDQINMR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds1

About 2-cyclopentyl-2-methyl-1,3-dioxane

2-cyclopentyl-2-methyl-1,3-dioxane (PubChem CID 45098524) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-cyclopentyl-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-cyclopentyl-2-methyl-1,3-dioxane
PubChem CID45098524
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-cyclopentyl-2-methyl-1,3-dioxane
SMILESCC1(C2CCCC2)OCCCO1
InChIInChI=1S/C10H18O2/c1-10(9-5-2-3-6-9)11-7-4-8-12-10/h9H,2-8H2,1H3
InChIKeyROTRQKZRDQINMR-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
CID 12914106
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine
CID 67491648
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
2,2-dicyclohexyl-1,3-dioxolane
CID 102096003
(2-cyclohexyl-2-methyloxolan-3-yl)methanamine
CID 105451085
trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol
CID 97091562
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
4-cyclohexyl-4-methyloxane
CID 58667675
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)acetic acid
CID 117170091

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methyl-1,3-dioxane?
The IUPAC name of 2-cyclopentyl-2-methyl-1,3-dioxane (CID 45098524) is 2-cyclopentyl-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-cyclopentyl-2-methyl-1,3-dioxane?
The canonical SMILES for 2-cyclopentyl-2-methyl-1,3-dioxane is CC1(C2CCCC2)OCCCO1.
What is the InChIKey of 2-cyclopentyl-2-methyl-1,3-dioxane?
The InChIKey is ROTRQKZRDQINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(9-5-2-3-6-9)11-7-4-8-12-10/h9H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-2-methyl-1,3-dioxane?
2-cyclopentyl-2-methyl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methyl-1,3-dioxane is sourced from PubChem (CID 45098524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).