7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane

C10H18O2 — CID 15728160

IUPAC7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
SMILESCC1CCC(C(C)C)C2(C1)OO2
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(9)11-12-10/h7-9H,4-6H2,1-3H3
InChIKeyGZGHLCLEBKZTGB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.74
Rot. Bonds1

About 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane

7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane (PubChem CID 15728160) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
PubChem CID15728160
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
SMILESCC1CCC(C(C)C)C2(C1)OO2
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(9)11-12-10/h7-9H,4-6H2,1-3H3
InChIKeyGZGHLCLEBKZTGB-UHFFFAOYSA-N
XLogP2.74
TPSA25.06 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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
CID 68641707
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CID 87562846
2,5,11,14-tetramethyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 10469126
(2R,5S)-10-(2-chlorophenyl)-2-methyl-5-propan-2-yl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 154699256
(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 45096322
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643
2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol
CID 10923156
(2'R,5'R)-5'-methyl-2'-propan-2-ylspiro[6,8,14,21-tetraoxatetracyclo[11.8.2.05,22.09,23]tricosa-1(22),2,4,9,11,13(23)-hexaene-7,1'-cyclohexane]
CID 10455704
trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane
CID 10255368
(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
CID 168973924
(1R,2S,5R)-1-chloro-5-methyl-1-nitroso-2-propan-2-ylcyclohexane
CID 134994121
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane?
The IUPAC name of 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane (CID 15728160) is 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane.
What is the SMILES notation for 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane?
The canonical SMILES for 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane is CC1CCC(C(C)C)C2(C1)OO2.
What is the InChIKey of 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane?
The InChIKey is GZGHLCLEBKZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(9)11-12-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane?
7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane has a molecular weight of 170.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane is sourced from PubChem (CID 15728160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).