(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol

C9H16O — CID 143252497

IUPAC(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol
SMILESCCC1[C@H]2[C@H](O)CC[C@@]12C
InChIInChI=1S/C9H16O/c1-3-6-8-7(10)4-5-9(6,8)2/h6-8,10H,3-5H2,1-2H3/t6?,7-,8+,9+/m1/s1
InChIKeyMHZVQOIEQHSKSX-UXGQUHLOSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds1

About (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol

(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol (PubChem CID 143252497) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol
PubChem CID143252497
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol
SMILESCCC1[C@H]2[C@H](O)CC[C@@]12C
InChIInChI=1S/C9H16O/c1-3-6-8-7(10)4-5-9(6,8)2/h6-8,10H,3-5H2,1-2H3/t6?,7-,8+,9+/m1/s1
InChIKeyMHZVQOIEQHSKSX-UXGQUHLOSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol (CID 143252497) is (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol is CCC1[C@H]2[C@H](O)CC[C@@]12C.
What is the InChIKey of (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is MHZVQOIEQHSKSX-UXGQUHLOSA-N. The full InChI is InChI=1S/C9H16O/c1-3-6-8-7(10)4-5-9(6,8)2/h6-8,10H,3-5H2,1-2H3/t6?,7-,8+,9+/m1/s1.
What are the key properties of (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol?
(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 143252497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).