(3S,4R)-4-butyloxan-3-ol

C9H18O2 — CID 134159433

IUPAC(3S,4R)-4-butyloxan-3-ol
SMILESCCCC[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C9H18O2/c1-2-3-4-8-5-6-11-7-9(8)10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyYYJKPYSAZZNYQM-RKDXNWHRSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds3

About (3S,4R)-4-butyloxan-3-ol

(3S,4R)-4-butyloxan-3-ol (PubChem CID 134159433) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S,4R)-4-butyloxan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-butyloxan-3-ol
PubChem CID134159433
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(3S,4R)-4-butyloxan-3-ol
SMILESCCCC[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C9H18O2/c1-2-3-4-8-5-6-11-7-9(8)10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyYYJKPYSAZZNYQM-RKDXNWHRSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[(2R,4r,6S)-2,6-dimethyloxan-4-yl]methanol
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2-Propyl-tetrahydropyran-3-ol
CID 541755
(2-(Propan-2-yl)oxan-4-yl)methanol
CID 65919175
1-(2-Methyloxan-4-yl)ethan-1-ol
CID 66439369
(6-Cyclopropyloxan-2-yl)methanol
CID 130584312
1,9-Dioxaspiro(5.5)undecan-5-ol
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{2,9-Dioxaspiro[5.5]undecan-3-yl}methanol
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-butyloxan-3-ol?
The IUPAC name of (3S,4R)-4-butyloxan-3-ol (CID 134159433) is (3S,4R)-4-butyloxan-3-ol.
What is the SMILES notation for (3S,4R)-4-butyloxan-3-ol?
The canonical SMILES for (3S,4R)-4-butyloxan-3-ol is CCCC[C@@H]1CCOC[C@H]1O.
What is the InChIKey of (3S,4R)-4-butyloxan-3-ol?
The InChIKey is YYJKPYSAZZNYQM-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-8-5-6-11-7-9(8)10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-butyloxan-3-ol?
(3S,4R)-4-butyloxan-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-butyloxan-3-ol is sourced from PubChem (CID 134159433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).