(2,5,5-trimethyloxan-2-yl)methanol

C9H18O2 — CID 90087661

IUPAC(2,5,5-trimethyloxan-2-yl)methanol
SMILESCC1(C)CCC(C)(CO)OC1
InChIInChI=1S/C9H18O2/c1-8(2)4-5-9(3,6-10)11-7-8/h10H,4-7H2,1-3H3
InChIKeyIACBHQQYIMVNNL-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds1

About (2,5,5-trimethyloxan-2-yl)methanol

(2,5,5-trimethyloxan-2-yl)methanol (PubChem CID 90087661) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2,5,5-trimethyloxan-2-yl)methanol.

Molecular Properties

Compound Name(2,5,5-trimethyloxan-2-yl)methanol
PubChem CID90087661
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2,5,5-trimethyloxan-2-yl)methanol
SMILESCC1(C)CCC(C)(CO)OC1
InChIInChI=1S/C9H18O2/c1-8(2)4-5-9(3,6-10)11-7-8/h10H,4-7H2,1-3H3
InChIKeyIACBHQQYIMVNNL-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5,5-trimethyloxan-2-yl)methanol?
The IUPAC name of (2,5,5-trimethyloxan-2-yl)methanol (CID 90087661) is (2,5,5-trimethyloxan-2-yl)methanol.
What is the SMILES notation for (2,5,5-trimethyloxan-2-yl)methanol?
The canonical SMILES for (2,5,5-trimethyloxan-2-yl)methanol is CC1(C)CCC(C)(CO)OC1.
What is the InChIKey of (2,5,5-trimethyloxan-2-yl)methanol?
The InChIKey is IACBHQQYIMVNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)4-5-9(3,6-10)11-7-8/h10H,4-7H2,1-3H3.
What are the key properties of (2,5,5-trimethyloxan-2-yl)methanol?
(2,5,5-trimethyloxan-2-yl)methanol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5,5-trimethyloxan-2-yl)methanol is sourced from PubChem (CID 90087661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).