(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene

C20H26O — CID 11044251

IUPAC(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C(C1)[C@@H]1C[C@H]2CC1OC1C[C@H]2C[C@@H]1C1CC=CC12
InChIInChI=1S/C20H26O/c1-3-13-11-7-17(15(13)5-1)19(9-11)21-20-10-12-8-18(20)16-6-2-4-14(12)16/h1-4,11-20H,5-10H2/t11-,12+,13?,14?,15?,16?,17-,18+,19?,20?
InChIKeyMROUMZRJDLDDEN-LLSNOEJOSA-N
MW282.43 g/mol
LogP4.20
Rot. Bonds2

About (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene

(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 11044251) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene
PubChem CID11044251
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C(C1)[C@@H]1C[C@H]2CC1OC1C[C@H]2C[C@@H]1C1CC=CC12
InChIInChI=1S/C20H26O/c1-3-13-11-7-17(15(13)5-1)19(9-11)21-20-10-12-8-18(20)16-6-2-4-14(12)16/h1-4,11-20H,5-10H2/t11-,12+,13?,14?,15?,16?,17-,18+,19?,20?
InChIKeyMROUMZRJDLDDEN-LLSNOEJOSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene (CID 11044251) is (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene is C1=CC2C(C1)[C@@H]1C[C@H]2CC1OC1C[C@H]2C[C@@H]1C1CC=CC12.
What is the InChIKey of (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is MROUMZRJDLDDEN-LLSNOEJOSA-N. The full InChI is InChI=1S/C20H26O/c1-3-13-11-7-17(15(13)5-1)19(9-11)21-20-10-12-8-18(20)16-6-2-4-14(12)16/h1-4,11-20H,5-10H2/t11-,12+,13?,14?,15?,16?,17-,18+,19?,20?.
What are the key properties of (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene?
(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 282.43 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 11044251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).