methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate

C14H24O2 — CID 71244310

IUPACmethyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)C1CCC2(CC1)CC(C(C)C)C2
InChIInChI=1S/C14H24O2/c1-10(2)12-8-14(9-12)6-4-11(5-7-14)13(15)16-3/h10-12H,4-9H2,1-3H3
InChIKeyJOTPOXJTRIXTJW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.40
Rot. Bonds2

About methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate

methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate (PubChem CID 71244310) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
PubChem CID71244310
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)C1CCC2(CC1)CC(C(C)C)C2
InChIInChI=1S/C14H24O2/c1-10(2)12-8-14(9-12)6-4-11(5-7-14)13(15)16-3/h10-12H,4-9H2,1-3H3
InChIKeyJOTPOXJTRIXTJW-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate?
The IUPAC name of methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate (CID 71244310) is methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate is COC(=O)C1CCC2(CC1)CC(C(C)C)C2.
What is the InChIKey of methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate?
The InChIKey is JOTPOXJTRIXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)12-8-14(9-12)6-4-11(5-7-14)13(15)16-3/h10-12H,4-9H2,1-3H3.
What are the key properties of methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate?
methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 71244310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).