(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol

C10H16O — CID 11137354

IUPAC(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O
InChIInChI=1S/C10H16O/c1-2-3-9-7-4-5-8(6-7)10(9)11/h2,7-11H,1,3-6H2/t7-,8+,9+,10-/m0/s1
InChIKeySCLNKBTWNXVHQG-JLIMGVALSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds2

About (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol

(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11137354) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
PubChem CID11137354
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O
InChIInChI=1S/C10H16O/c1-2-3-9-7-4-5-8(6-7)10(9)11/h2,7-11H,1,3-6H2/t7-,8+,9+,10-/m0/s1
InChIKeySCLNKBTWNXVHQG-JLIMGVALSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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

3-pent-4-enylbicyclo[2.2.1]heptan-2-ol
CID 123558126
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 11745067
3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 130151853
1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131155983
2-prop-2-enyl-6-(4-prop-2-enylcyclohexyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 173081121
3-methyl-2-prop-2-enylcyclohexan-1-ol
CID 71440529
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
(1R,2S,3S,4S,5R)-5-(hydroxymethyl)-4-methyl-3-prop-2-enylbicyclo[2.2.2]octan-2-ol
CID 15511691
1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
CID 142247047
2,3,4-tris(prop-2-enyl)thietane
CID 67278640

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol (CID 11137354) is (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol is C=CC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is SCLNKBTWNXVHQG-JLIMGVALSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-9-7-4-5-8(6-7)10(9)11/h2,7-11H,1,3-6H2/t7-,8+,9+,10-/m0/s1.
What are the key properties of (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11137354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).