(2S,4R)-4-methyl-2-propyloxan-4-ol

C9H18O2 — CID 45083243

IUPAC(2S,4R)-4-methyl-2-propyloxan-4-ol
SMILESCCC[C@H]1C[C@](C)(O)CCO1
InChIInChI=1S/C9H18O2/c1-3-4-8-7-9(2,10)5-6-11-8/h8,10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyKMQJFQIMSPMKEX-DTWKUNHWSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds2

About (2S,4R)-4-methyl-2-propyloxan-4-ol

(2S,4R)-4-methyl-2-propyloxan-4-ol (PubChem CID 45083243) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,4R)-4-methyl-2-propyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R)-4-methyl-2-propyloxan-4-ol
PubChem CID45083243
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S,4R)-4-methyl-2-propyloxan-4-ol
SMILESCCC[C@H]1C[C@](C)(O)CCO1
InChIInChI=1S/C9H18O2/c1-3-4-8-7-9(2,10)5-6-11-8/h8,10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyKMQJFQIMSPMKEX-DTWKUNHWSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-methylpropyl)oxan-4-ol
CID 3017432
4-(2-methylprop-1-enyl)-2-propyloxan-4-ol
CID 79189913
(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
CID 81358520
3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid
CID 66322763
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
2-propyl-4-(2,4,5-trimethylphenyl)oxan-4-ol
CID 64984799
1-(4-hydroxy-2-propyloxan-4-yl)-3-methylcyclohexane-1-carbonitrile
CID 79132506
2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641948
4-[1-(aminomethyl)-3-methylcyclopentyl]-2-propyloxan-4-ol
CID 79123923
(4R,5S)-5-chloro-4-methyl-2-propyloxan-4-ol
CID 130765140
2-[4-(methylamino)-2-propyloxan-4-yl]acetamide
CID 65236924
2-[4-(dimethylamino)-2-propyloxan-4-yl]acetic acid
CID 64526984

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methyl-2-propyloxan-4-ol?
The IUPAC name of (2S,4R)-4-methyl-2-propyloxan-4-ol (CID 45083243) is (2S,4R)-4-methyl-2-propyloxan-4-ol.
What is the SMILES notation for (2S,4R)-4-methyl-2-propyloxan-4-ol?
The canonical SMILES for (2S,4R)-4-methyl-2-propyloxan-4-ol is CCC[C@H]1C[C@](C)(O)CCO1.
What is the InChIKey of (2S,4R)-4-methyl-2-propyloxan-4-ol?
The InChIKey is KMQJFQIMSPMKEX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-8-7-9(2,10)5-6-11-8/h8,10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-4-methyl-2-propyloxan-4-ol?
(2S,4R)-4-methyl-2-propyloxan-4-ol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methyl-2-propyloxan-4-ol is sourced from PubChem (CID 45083243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).