(2R,6R)-6-butyloxan-2-ol

C9H18O2 — CID 130757753

IUPAC(2R,6R)-6-butyloxan-2-ol
SMILESCCCC[C@@H]1CCC[C@H](O)O1
InChIInChI=1S/C9H18O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyGAAKIZLDCJAHHD-RKDXNWHRSA-N
MW158.24 g/mol
LogP2.06
Rot. Bonds3

About (2R,6R)-6-butyloxan-2-ol

(2R,6R)-6-butyloxan-2-ol (PubChem CID 130757753) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R,6R)-6-butyloxan-2-ol.

Molecular Properties

Compound Name(2R,6R)-6-butyloxan-2-ol
PubChem CID130757753
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R,6R)-6-butyloxan-2-ol
SMILESCCCC[C@@H]1CCC[C@H](O)O1
InChIInChI=1S/C9H18O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyGAAKIZLDCJAHHD-RKDXNWHRSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(2-methyl-1,3-benzodioxol-2-yl)propyl]oxan-2-ol
CID 71361300
(2R,3S,7S)-7-hexyl-2-methoxy-3-methyloxepane
CID 101186418
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638
1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
CID 101197924
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
(5-heptyloxolan-2-yl)methanol
CID 11820121
(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane
CID 10778341
3-(13-pentyl-1-oxacyclotridec-3-en-2-yl)propanoic acid
CID 90879453
7-pentyloxepane-2-carbonitrile
CID 10559768

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-butyloxan-2-ol?
The IUPAC name of (2R,6R)-6-butyloxan-2-ol (CID 130757753) is (2R,6R)-6-butyloxan-2-ol.
What is the SMILES notation for (2R,6R)-6-butyloxan-2-ol?
The canonical SMILES for (2R,6R)-6-butyloxan-2-ol is CCCC[C@@H]1CCC[C@H](O)O1.
What is the InChIKey of (2R,6R)-6-butyloxan-2-ol?
The InChIKey is GAAKIZLDCJAHHD-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-6-butyloxan-2-ol?
(2R,6R)-6-butyloxan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-butyloxan-2-ol is sourced from PubChem (CID 130757753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).