(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

C20H18 — CID 125036364

IUPAC(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
SMILESC1=C[C@H]2C=C(C3=C[C@H]4C=C[C@H]5C=C[C@@H]3[C@@H]54)[C@@H]3C=C[C@@H]1[C@H]23
InChIInChI=1S/C20H18/c1-3-13-9-17(15-7-5-11(1)19(13)15)18-10-14-4-2-12-6-8-16(18)20(12)14/h1-16,19-20H/t11-,12+,13+,14-,15-,16-,19-,20+/m0/s1
InChIKeyVWAWVLPZRWQIJZ-WHHPSKPUSA-N
MW258.36 g/mol
LogP4.08
Rot. Bonds1

About (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

(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 (PubChem CID 125036364) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125036364
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name(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
SMILESC1=C[C@H]2C=C(C3=C[C@H]4C=C[C@H]5C=C[C@@H]3[C@@H]54)[C@@H]3C=C[C@@H]1[C@H]23
InChIInChI=1S/C20H18/c1-3-13-9-17(15-7-5-11(1)19(13)15)18-10-14-4-2-12-6-8-16(18)20(12)14/h1-16,19-20H/t11-,12+,13+,14-,15-,16-,19-,20+/m0/s1
InChIKeyVWAWVLPZRWQIJZ-WHHPSKPUSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(1S,4R,7R,10S)-tricyclo[5.2.1.04,10]deca-2,5,8-triene-2-carboxylic acid
CID 124923045
tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
CID 14893582
(2R,7S,9R,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11,15,17,19-pentaene
CID 102306199
(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene
CID 101404891
(1S,4R,7S)-7-methylbicyclo[2.2.1]hepta-2,5-dien-2-ol
CID 134894419
5,17-dithiaheptacyclo[17.5.1.17,13.03,23.08,12.011,15.020,24]hexacosa-2,7(26),9,14,19(25),21-hexaene
CID 5249778
(1S,4R,7S,10S)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]tricyclo[5.2.1.04,10]deca-2,5,8-triene-2-carboxamide
CID 98555724
(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
CID 124916174
(1R,4R,7S,10S)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-one
CID 124807073
(1R)-bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 71445549
[(1R,2R,5R,6R)-7-tricyclo[4.2.2.02,5]deca-3,7,9-trienyl]methanol
CID 98557010
[(1S,2S,5R,6S)-7-tricyclo[4.2.2.02,5]deca-3,7,9-trienyl]methanol
CID 100895470

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C1=C[C@H]2C=C(C3=C[C@H]4C=C[C@H]5C=C[C@@H]3[C@@H]54)[C@@H]3C=C[C@@H]1[C@H]23.
What is the InChIKey of (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?
The InChIKey is VWAWVLPZRWQIJZ-WHHPSKPUSA-N. The full InChI is InChI=1S/C20H18/c1-3-13-9-17(15-7-5-11(1)19(13)15)18-10-14-4-2-12-6-8-16(18)20(12)14/h1-16,19-20H/t11-,12+,13+,14-,15-,16-,19-,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 258.36 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125036364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).