(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane

C11H16 — CID 13462522

IUPAC(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
SMILESC=C1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21
InChIInChI=1S/C11H16/c1-7-5-8-6-11(7)10-4-2-3-9(8)10/h8-11H,1-6H2/t8-,9-,10-,11-/m1/s1
InChIKeyYNOXOEPWMVTZCA-GWOFURMSSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds

About (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane

(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane (PubChem CID 13462522) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
PubChem CID13462522
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
SMILESC=C1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21
InChIInChI=1S/C11H16/c1-7-5-8-6-11(7)10-4-2-3-9(8)10/h8-11H,1-6H2/t8-,9-,10-,11-/m1/s1
InChIKeyYNOXOEPWMVTZCA-GWOFURMSSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
methane;tricyclo[5.2.1.02,6]decan-8-one
CID 162040407
(Z,1R,2R,6R,7S)-N-[(Z)-[(1R,2R,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
CID 125027928
(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
CID 98628114
8,9-dimethylidenetricyclo[5.2.1.02,6]decane
CID 15046958
4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 100957909
(2S,7R)-tricyclo[6.1.1.02,7]decane
CID 15939125
6-cyclopropyl-2-methylidenebicyclo[3.2.0]heptane
CID 163850995
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
2,3,3a,5,5a,6,7,8,8a,8b-decahydro-1H-as-indacen-4-one
CID 565423
(3aS,3bS,6aR,7aS)-1,2,3,3a,3b,4,6,6a,7,7a-decahydrocyclopenta[a]pentalen-5-one
CID 159431469
(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
CID 134852734

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane (CID 13462522) is (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane is C=C1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21.
What is the InChIKey of (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane?
The InChIKey is YNOXOEPWMVTZCA-GWOFURMSSA-N. The full InChI is InChI=1S/C11H16/c1-7-5-8-6-11(7)10-4-2-3-9(8)10/h8-11H,1-6H2/t8-,9-,10-,11-/m1/s1.
What are the key properties of (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane?
(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane has a molecular weight of 148.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 13462522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).