(1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol

C13H16O — CID 130735005

IUPAC(1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol
SMILESOC1CC=C2C(=CC1)[C@H]1C=C[C@@H]2CC1
InChIInChI=1S/C13H16O/c14-11-5-7-12-9-1-2-10(4-3-9)13(12)8-6-11/h1-2,7-11,14H,3-6H2/t9-,10+,11?
InChIKeyFZFZUOIIEJTWJO-ZACCUICWSA-N
MW188.27 g/mol
LogP2.59
Rot. Bonds

About (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol

(1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol (PubChem CID 130735005) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol.

Molecular Properties

Compound Name(1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol
PubChem CID130735005
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol
SMILESOC1CC=C2C(=CC1)[C@H]1C=C[C@@H]2CC1
InChIInChI=1S/C13H16O/c14-11-5-7-12-9-1-2-10(4-3-9)13(12)8-6-11/h1-2,7-11,14H,3-6H2/t9-,10+,11?
InChIKeyFZFZUOIIEJTWJO-ZACCUICWSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.59
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,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
CID 124556656
[(4R)-4-hydroxycyclohexen-1-yl]boronic acid
CID 124635727
4-(hydroxymethyl)cyclohex-3-en-1-ol
CID 130125298
(1R,3S,6R,8S)-tetracyclo[6.2.2.13,6.02,7]trideca-2(7),4,9-triene
CID 101270230
4-hydroxycyclohexene-1-carboxylic acid
CID 45116548
(1R)-4-methoxycyclohex-3-en-1-ol
CID 86316817
(3Z)-4-methylcyclooct-3-en-1-ol
CID 23092761
(1R)-4-ethenylcyclohex-3-en-1-ol
CID 100956692
1,2,3,5,6,7-hexahydronaphthalene-1,5-diol
CID 130126715
(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde
CID 10702135
4-methanimidoylcyclohex-3-en-1-ol
CID 91033503
3,4,5,6-tetrahydro-2H-heptalene-3,5a-diol
CID 121011450

Frequently Asked Questions

What is the IUPAC name of (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol?
The IUPAC name of (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol (CID 130735005) is (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol.
What is the SMILES notation for (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol?
The canonical SMILES for (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol is OC1CC=C2C(=CC1)[C@H]1C=C[C@@H]2CC1.
What is the InChIKey of (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol?
The InChIKey is FZFZUOIIEJTWJO-ZACCUICWSA-N. The full InChI is InChI=1S/C13H16O/c14-11-5-7-12-9-1-2-10(4-3-9)13(12)8-6-11/h1-2,7-11,14H,3-6H2/t9-,10+,11?.
What are the key properties of (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol?
(1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol has a molecular weight of 188.27 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol is sourced from PubChem (CID 130735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).