5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane

C10H18O — CID 118700099

IUPAC5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane
SMILESCOCC1CC12CC2C(C)C
InChIInChI=1S/C10H18O/c1-7(2)9-5-10(9)4-8(10)6-11-3/h7-9H,4-6H2,1-3H3
InChIKeyPPVUCRBEHZKVGT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.32
Rot. Bonds3

About 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane

5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane (PubChem CID 118700099) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane.

Molecular Properties

Compound Name5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane
PubChem CID118700099
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane
SMILESCOCC1CC12CC2C(C)C
InChIInChI=1S/C10H18O/c1-7(2)9-5-10(9)4-8(10)6-11-3/h7-9H,4-6H2,1-3H3
InChIKeyPPVUCRBEHZKVGT-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane?
The IUPAC name of 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane (CID 118700099) is 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane.
What is the SMILES notation for 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane?
The canonical SMILES for 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane is COCC1CC12CC2C(C)C.
What is the InChIKey of 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane?
The InChIKey is PPVUCRBEHZKVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)9-5-10(9)4-8(10)6-11-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane?
5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane has a molecular weight of 154.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane is sourced from PubChem (CID 118700099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).