(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol

C10H18O2 — CID 101041665

IUPAC(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol
SMILESC[C@@H](O)[C@@H](C)OC1=CCCCC1
InChIInChI=1S/C10H18O2/c1-8(11)9(2)12-10-6-4-3-5-7-10/h6,8-9,11H,3-5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNSLZOUYQHXSNKF-RKDXNWHRSA-N
MW170.25 g/mol
LogP2.23
Rot. Bonds3

About (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol

(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol (PubChem CID 101041665) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol
PubChem CID101041665
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol
SMILESC[C@@H](O)[C@@H](C)OC1=CCCCC1
InChIInChI=1S/C10H18O2/c1-8(11)9(2)12-10-6-4-3-5-7-10/h6,8-9,11H,3-5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNSLZOUYQHXSNKF-RKDXNWHRSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol?
The IUPAC name of (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol (CID 101041665) is (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol.
What is the SMILES notation for (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol?
The canonical SMILES for (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol is C[C@@H](O)[C@@H](C)OC1=CCCCC1.
What is the InChIKey of (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol?
The InChIKey is NSLZOUYQHXSNKF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(11)9(2)12-10-6-4-3-5-7-10/h6,8-9,11H,3-5,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol?
(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol is sourced from PubChem (CID 101041665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).