2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol

C14H26O2 — CID 137412965

IUPAC2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol
SMILESCCCC(C)C1(C)CC2(CCOCC2)C1O
InChIInChI=1S/C14H26O2/c1-4-5-11(2)13(3)10-14(12(13)15)6-8-16-9-7-14/h11-12,15H,4-10H2,1-3H3
InChIKeyWHUQMROKIOXJDO-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds3

About 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol

2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol (PubChem CID 137412965) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol
PubChem CID137412965
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol
SMILESCCCC(C)C1(C)CC2(CCOCC2)C1O
InChIInChI=1S/C14H26O2/c1-4-5-11(2)13(3)10-14(12(13)15)6-8-16-9-7-14/h11-12,15H,4-10H2,1-3H3
InChIKeyWHUQMROKIOXJDO-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
The IUPAC name of 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol (CID 137412965) is 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol.
What is the SMILES notation for 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
The canonical SMILES for 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol is CCCC(C)C1(C)CC2(CCOCC2)C1O.
What is the InChIKey of 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
The InChIKey is WHUQMROKIOXJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-11(2)13(3)10-14(12(13)15)6-8-16-9-7-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol?
2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol has a molecular weight of 226.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pentan-2-yl-7-oxaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 137412965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).