[(2R,4S)-2-propan-2-yloxan-4-yl]methanol

C9H18O2 — CID 97010857

IUPAC[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
SMILESCC(C)[C@H]1C[C@@H](CO)CCO1
InChIInChI=1S/C9H18O2/c1-7(2)9-5-8(6-10)3-4-11-9/h7-10H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyNJOJKZIRFDRORU-DTWKUNHWSA-N
MW158.24 g/mol
LogP1.43
Rot. Bonds2

About [(2R,4S)-2-propan-2-yloxan-4-yl]methanol

[(2R,4S)-2-propan-2-yloxan-4-yl]methanol (PubChem CID 97010857) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is [(2R,4S)-2-propan-2-yloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
PubChem CID97010857
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
SMILESCC(C)[C@H]1C[C@@H](CO)CCO1
InChIInChI=1S/C9H18O2/c1-7(2)9-5-8(6-10)3-4-11-9/h7-10H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyNJOJKZIRFDRORU-DTWKUNHWSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-
CID 44464839
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
(2-Methyloxan-4-yl)methanol
CID 22235159
(2,2-Dimethyloxan-4-yl)methanol
CID 51072184
[(2R,4r,6S)-2,6-dimethyloxan-4-yl]methanol
CID 67078164
(2,2,6,6-tetramethyl-tetrahydro-2H-pyran-4-yl)methanol
CID 67323065
3-(Propan-2-yl)oxan-4-ol
CID 106471202
(2S,6R,7S)-6-Methylnonane-2,7-diol
CID 163089982
6-Methylheptane-2,5-diol
CID 22323927
3-Methyloctan-1,4-diol
CID 13203170

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-propan-2-yloxan-4-yl]methanol?
The IUPAC name of [(2R,4S)-2-propan-2-yloxan-4-yl]methanol (CID 97010857) is [(2R,4S)-2-propan-2-yloxan-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-2-propan-2-yloxan-4-yl]methanol?
The canonical SMILES for [(2R,4S)-2-propan-2-yloxan-4-yl]methanol is CC(C)[C@H]1C[C@@H](CO)CCO1.
What is the InChIKey of [(2R,4S)-2-propan-2-yloxan-4-yl]methanol?
The InChIKey is NJOJKZIRFDRORU-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)9-5-8(6-10)3-4-11-9/h7-10H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of [(2R,4S)-2-propan-2-yloxan-4-yl]methanol?
[(2R,4S)-2-propan-2-yloxan-4-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-propan-2-yloxan-4-yl]methanol is sourced from PubChem (CID 97010857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).