(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

C9H16O — CID 95565705

IUPAC(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESCC(C)[C@]12C[C@@H](O)C[C@H]1C2
InChIInChI=1S/C9H16O/c1-6(2)9-4-7(9)3-8(10)5-9/h6-8,10H,3-5H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyMUYYFVIMKFKTLK-CIUDSAMLSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds1

About (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (PubChem CID 95565705) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
PubChem CID95565705
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SMILESCC(C)[C@]12C[C@@H](O)C[C@H]1C2
InChIInChI=1S/C9H16O/c1-6(2)9-4-7(9)3-8(10)5-9/h6-8,10H,3-5H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyMUYYFVIMKFKTLK-CIUDSAMLSA-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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Related Compounds

1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol
CID 138736701
molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 144912446
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
CID 171796329
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 91753443
(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 5459764
2,2-di(propan-2-yl)-1,3-dioxan-5-ol
CID 130130321
2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol
CID 176797226
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 142521754
(1S,3R,5S)-3-hydroxybicyclo[3.1.0]hexane-1-carbonitrile
CID 130905997

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol (CID 95565705) is (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is CC(C)[C@]12C[C@@H](O)C[C@H]1C2.
What is the InChIKey of (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
The InChIKey is MUYYFVIMKFKTLK-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H16O/c1-6(2)9-4-7(9)3-8(10)5-9/h6-8,10H,3-5H2,1-2H3/t7-,8-,9-/m0/s1.
What are the key properties of (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol?
(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-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 (1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 95565705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).