2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol

C14H26O2 — CID 23346571

IUPAC2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol
SMILESCC1CCC2(O1)C(C)(O)CCC(C)C2(C)C
InChIInChI=1S/C14H26O2/c1-10-6-8-13(5,15)14(12(10,3)4)9-7-11(2)16-14/h10-11,15H,6-9H2,1-5H3
InChIKeyKMEYTOHHNXQVDZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds

About 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol

2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol (PubChem CID 23346571) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol
PubChem CID23346571
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol
SMILESCC1CCC2(O1)C(C)(O)CCC(C)C2(C)C
InChIInChI=1S/C14H26O2/c1-10-6-8-13(5,15)14(12(10,3)4)9-7-11(2)16-14/h10-11,15H,6-9H2,1-5H3
InChIKeyKMEYTOHHNXQVDZ-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol?
The IUPAC name of 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol (CID 23346571) is 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol.
What is the SMILES notation for 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol?
The canonical SMILES for 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol is CC1CCC2(O1)C(C)(O)CCC(C)C2(C)C.
What is the InChIKey of 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol?
The InChIKey is KMEYTOHHNXQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10-6-8-13(5,15)14(12(10,3)4)9-7-11(2)16-14/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol?
2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol is sourced from PubChem (CID 23346571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).