(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

C10H18O — CID 91753443

IUPAC(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESCC(C)C12CC1[C@@H](C)[C@H](O)C2
InChIInChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8?,9-,10?/m1/s1
InChIKeyDZVXRFMREAADPP-PRWFHZCQSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds1

About (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (PubChem CID 91753443) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
PubChem CID91753443
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESCC(C)C12CC1[C@@H](C)[C@H](O)C2
InChIInChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8?,9-,10?/m1/s1
InChIKeyDZVXRFMREAADPP-PRWFHZCQSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (CID 91753443) is (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is CC(C)C12CC1[C@@H](C)[C@H](O)C2.
What is the InChIKey of (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The InChIKey is DZVXRFMREAADPP-PRWFHZCQSA-N. The full InChI is InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8?,9-,10?/m1/s1.
What are the key properties of (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 91753443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).