(4-tert-butyloxan-4-yl)methanol

C10H20O2 — CID 140941612

IUPAC(4-tert-butyloxan-4-yl)methanol
SMILESCC(C)(C)C1(CO)CCOCC1
InChIInChI=1S/C10H20O2/c1-9(2,3)10(8-11)4-6-12-7-5-10/h11H,4-8H2,1-3H3
InChIKeyCRWKIFGCNVJKNY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds1

About (4-tert-butyloxan-4-yl)methanol

(4-tert-butyloxan-4-yl)methanol (PubChem CID 140941612) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (4-tert-butyloxan-4-yl)methanol.

Molecular Properties

Compound Name(4-tert-butyloxan-4-yl)methanol
PubChem CID140941612
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(4-tert-butyloxan-4-yl)methanol
SMILESCC(C)(C)C1(CO)CCOCC1
InChIInChI=1S/C10H20O2/c1-9(2,3)10(8-11)4-6-12-7-5-10/h11H,4-8H2,1-3H3
InChIKeyCRWKIFGCNVJKNY-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyloxan-4-yl)methanol?
The IUPAC name of (4-tert-butyloxan-4-yl)methanol (CID 140941612) is (4-tert-butyloxan-4-yl)methanol.
What is the SMILES notation for (4-tert-butyloxan-4-yl)methanol?
The canonical SMILES for (4-tert-butyloxan-4-yl)methanol is CC(C)(C)C1(CO)CCOCC1.
What is the InChIKey of (4-tert-butyloxan-4-yl)methanol?
The InChIKey is CRWKIFGCNVJKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,3)10(8-11)4-6-12-7-5-10/h11H,4-8H2,1-3H3.
What are the key properties of (4-tert-butyloxan-4-yl)methanol?
(4-tert-butyloxan-4-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyloxan-4-yl)methanol is sourced from PubChem (CID 140941612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).