3-prop-2-enylbicyclo[3.1.0]hexan-2-ol

C9H14O — CID 130151853

IUPAC3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CCC1CC2CC2C1O
InChIInChI=1S/C9H14O/c1-2-3-6-4-7-5-8(7)9(6)10/h2,6-10H,1,3-5H2
InChIKeyQIEWNKIMSUYMNJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds2

About 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol

3-prop-2-enylbicyclo[3.1.0]hexan-2-ol (PubChem CID 130151853) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
PubChem CID130151853
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CCC1CC2CC2C1O
InChIInChI=1S/C9H14O/c1-2-3-6-4-7-5-8(7)9(6)10/h2,6-10H,1,3-5H2
InChIKeyQIEWNKIMSUYMNJ-UHFFFAOYSA-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,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 11137354
(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505
4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
CID 56842963
2,4-bis(prop-2-enyl)cycloheptan-1-ol
CID 70291440
(2S,3S)-5-hydroxy-3-prop-2-enylpyrrolidine-2-carbaldehyde
CID 89050448
3-bromo-5-ethenylbicyclo[2.2.1]heptan-2-ol
CID 134612491
[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 25023106
5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol
CID 556377
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
4-prop-2-enylpiperidin-3-ol
CID 89139617
1-(7-prop-2-enyl-4-oxabicyclo[6.1.0]nonan-5-yl)pyrrolidine
CID 163901539

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol (CID 130151853) is 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol is C=CCC1CC2CC2C1O.
What is the InChIKey of 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is QIEWNKIMSUYMNJ-UHFFFAOYSA-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.
What are the key properties of 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
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 3-prop-2-enylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130151853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).