(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane

C10H18O2 — CID 146427994

IUPAC(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane
SMILESC[C@@H]1CCC2(CCOCC2)CO1
InChIInChI=1S/C10H18O2/c1-9-2-3-10(8-12-9)4-6-11-7-5-10/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeySVHCTWRBSSWIFV-SECBINFHSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds

About (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane

(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane (PubChem CID 146427994) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane
PubChem CID146427994
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane
SMILESC[C@@H]1CCC2(CCOCC2)CO1
InChIInChI=1S/C10H18O2/c1-9-2-3-10(8-12-9)4-6-11-7-5-10/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeySVHCTWRBSSWIFV-SECBINFHSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-6-oxa-2-azaspiro[3.5]nonane
CID 154577129
8-methyl-2-oxaspiro[4.5]decane
CID 118029245
ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane
CID 178155976
2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl fluoride
CID 154832148
2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfinic acid
CID 165450506
ethane;2-methyl-7-oxaspiro[3.5]nonane
CID 144747152
2,8-dioxaspiro[4.5]decane-3-carboxylic acid
CID 138990940
8-oxaspiro[4.5]decan-3-amine
CID 117274030
2,9-dioxaspiro[4.6]undecane
CID 118210519
2-methyloxolane;oxolane
CID 69253648
1,2-dimethyl-6-oxaspiro[2.5]octane
CID 58482279
N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
CID 136559330

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane?
The IUPAC name of (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane (CID 146427994) is (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane?
The canonical SMILES for (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane is C[C@@H]1CCC2(CCOCC2)CO1.
What is the InChIKey of (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane?
The InChIKey is SVHCTWRBSSWIFV-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-2-3-10(8-12-9)4-6-11-7-5-10/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane?
(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 146427994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).