(1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol

C8H10O — CID 134894419

IUPAC(1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol
SMILESC[C@H]1[C@H]2C=C[C@@H]1C(O)=C2
InChIInChI=1S/C8H10O/c1-5-6-2-3-7(5)8(9)4-6/h2-7,9H,1H3/t5-,6-,7-/m0/s1
InChIKeyGMJLDVFALYRZEN-ACZMJKKPSA-N
MW122.17 g/mol
LogP1.88
Rot. Bonds

About (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol

(1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol (PubChem CID 134894419) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol.

Molecular Properties

Compound Name(1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol
PubChem CID134894419
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol
SMILESC[C@H]1[C@H]2C=C[C@@H]1C(O)=C2
InChIInChI=1S/C8H10O/c1-5-6-2-3-7(5)8(9)4-6/h2-7,9H,1H3/t5-,6-,7-/m0/s1
InChIKeyGMJLDVFALYRZEN-ACZMJKKPSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.88
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-methylcyclopropen-1-ol
CID 173486632
4,5-dimethylcyclohexa-2,6-diene-1,2-diol
CID 58085910
(1R,4R,7R,10R)-2-[(1R,4S,7S,10S)-2-tricyclo[5.2.1.04,10]deca-2,5,8-trienyl]tricyclo[5.2.1.04,10]deca-2,5,8-triene
CID 125036364
[(1R,2R,5R,6R)-7-tricyclo[4.2.2.02,5]deca-3,7,9-trienyl]methanol
CID 98557010
[(1R,2R,5R,6S)-7-tricyclo[4.2.2.02,5]deca-3,7,9-trienyl]methanol
CID 94034991
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane
CID 11586488
2-methylcyclopent-4-ene-1,3-diol
CID 85423697
5,6-dimethylcyclohex-2-ene-1,4-diol
CID 58010997
1-methyl-4-[5-methyl-4-(1-methylpyridin-1-ium-4-yl)cyclopent-2-en-1-yl]pyridin-1-ium
CID 90380782
2-methyl-3,6-dihydro-2H-pyran-3,5,6-triol
CID 89281499
2,3-dimethyl-1,3-dihydropyrazol-5-ol
CID 148657615

Frequently Asked Questions

What is the IUPAC name of (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol?
The IUPAC name of (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol (CID 134894419) is (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol.
What is the SMILES notation for (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol?
The canonical SMILES for (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol is C[C@H]1[C@H]2C=C[C@@H]1C(O)=C2.
What is the InChIKey of (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol?
The InChIKey is GMJLDVFALYRZEN-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H10O/c1-5-6-2-3-7(5)8(9)4-6/h2-7,9H,1H3/t5-,6-,7-/m0/s1.
What are the key properties of (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol?
(1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol has a molecular weight of 122.17 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol is sourced from PubChem (CID 134894419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).