(2-tert-butyloxan-3-yl)methanol

C10H20O2 — CID 79373679

IUPAC(2-tert-butyloxan-3-yl)methanol
SMILESCC(C)(C)C1OCCCC1CO
InChIInChI=1S/C10H20O2/c1-10(2,3)9-8(7-11)5-4-6-12-9/h8-9,11H,4-7H2,1-3H3
InChIKeyORSIJWNBRNNFAZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds1

About (2-tert-butyloxan-3-yl)methanol

(2-tert-butyloxan-3-yl)methanol (PubChem CID 79373679) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2-tert-butyloxan-3-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyloxan-3-yl)methanol
PubChem CID79373679
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2-tert-butyloxan-3-yl)methanol
SMILESCC(C)(C)C1OCCCC1CO
InChIInChI=1S/C10H20O2/c1-10(2,3)9-8(7-11)5-4-6-12-9/h8-9,11H,4-7H2,1-3H3
InChIKeyORSIJWNBRNNFAZ-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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Related Compounds

[2-(2-methoxypropan-2-yl)oxan-3-yl]methanol
CID 131115463
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
1-[(2-tert-butyloxan-3-yl)methyl]-2,3-dimethylguanidine
CID 111428538
2-[(2-tert-butyloxan-3-yl)methyl]-1-cyclopropylguanidine
CID 111428540
2-[(2-tert-butyloxan-3-yl)methyl]-1-ethylguanidine
CID 111622990
2-[(2-tert-butyloxan-3-yl)methyl]-1-propylguanidine;hydroiodide
CID 111816155
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
3-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-1-cycloheptyl-1-methylurea
CID 99809170
3-[(2-tert-butyloxan-3-yl)methylcarbamoyl-methylamino]propanoic acid
CID 122002792
2-tert-butyl-3-methyloxepane
CID 121477234
[3-[(2-tert-butyloxan-3-yl)methylamino]-4-nitrophenyl]methanol
CID 133437876
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyloxan-3-yl)methanol?
The IUPAC name of (2-tert-butyloxan-3-yl)methanol (CID 79373679) is (2-tert-butyloxan-3-yl)methanol.
What is the SMILES notation for (2-tert-butyloxan-3-yl)methanol?
The canonical SMILES for (2-tert-butyloxan-3-yl)methanol is CC(C)(C)C1OCCCC1CO.
What is the InChIKey of (2-tert-butyloxan-3-yl)methanol?
The InChIKey is ORSIJWNBRNNFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)9-8(7-11)5-4-6-12-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of (2-tert-butyloxan-3-yl)methanol?
(2-tert-butyloxan-3-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 (2-tert-butyloxan-3-yl)methanol is sourced from PubChem (CID 79373679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).