(1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol

C9H14O — CID 102073496

IUPAC(1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CC[C@H]1C[C@H]2C[C@H]2[C@@H]1O
InChIInChI=1S/C9H14O/c1-2-3-6-4-7-5-8(7)9(6)10/h2,6-10H,1,3-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyQIEWNKIMSUYMNJ-RBXMUDONSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds2

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

(1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol (PubChem CID 102073496) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
PubChem CID102073496
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CC[C@H]1C[C@H]2C[C@H]2[C@@H]1O
InChIInChI=1S/C9H14O/c1-2-3-6-4-7-5-8(7)9(6)10/h2,6-10H,1,3-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyQIEWNKIMSUYMNJ-RBXMUDONSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 102076031
2,5-Bis(prop-2-enyl)cyclopentan-1-ol
CID 69767475
2,4-Bis(prop-2-enyl)cyclopentan-1-ol
CID 70290107
(1S,2R,3S,5S)-2-pent-4-enylbicyclo[3.1.0]hexan-3-ol
CID 89929610
(1S,2R,3R,5S)-2-pent-4-enylbicyclo[3.1.0]hexan-3-ol
CID 89929612
(1S,2R,3R,5S)-2-but-3-enylbicyclo[3.1.0]hexan-3-ol
CID 90442320
(1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol
CID 90442322
3-Cycloprop-2-en-1-ylbicyclo[2.2.1]heptan-2-ol
CID 123397455
(2R,3S,5S)-2-hex-5-enylbicyclo[3.1.0]hexan-3-ol
CID 129014255
(1S,2R,3R)-2-pent-4-enylbicyclo[3.1.0]hexan-3-ol
CID 129014257
(1R,2R,4R)-4-methyl-2-pent-4-enylcyclopentan-1-ol
CID 129014328
(1S,2R,3S)-2-pent-4-enylbicyclo[3.1.0]hexan-3-ol
CID 129154026

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol (CID 102073496) is (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol is C=CC[C@H]1C[C@H]2C[C@H]2[C@@H]1O.
What is the InChIKey of (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is QIEWNKIMSUYMNJ-RBXMUDONSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-6-4-7-5-8(7)9(6)10/h2,6-10H,1,3-5H2/t6-,7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
(1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 102073496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).